(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C26H37N7O3 — CID 134804657

IUPAC(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H37N7O3/c34-23-4-1-3-22-21-15-19(17-33(22)23)16-32(18-21)26(36)31-9-5-20(6-10-31)24(35)29-11-13-30(14-12-29)25-27-7-2-8-28-25/h2,7-8,19-22H,1,3-6,9-18H2/t19?,21?,22-/m1/s1
InChIKeyFCCSWHLDBBGMHU-KITAHSCOSA-N
MW495.63 g/mol
LogP1.29
Rot. Bonds2

About (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 134804657) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID134804657
Molecular FormulaC26H37N7O3
Molecular Weight495.63 g/mol
Exact Mass495.30
IUPAC Name(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESO=C(C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H37N7O3/c34-23-4-1-3-22-21-15-19(17-33(22)23)16-32(18-21)26(36)31-9-5-20(6-10-31)24(35)29-11-13-30(14-12-29)25-27-7-2-8-28-25/h2,7-8,19-22H,1,3-6,9-18H2/t19?,21?,22-/m1/s1
InChIKeyFCCSWHLDBBGMHU-KITAHSCOSA-N
XLogP1.29
TPSA93.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one with MolForge

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Related Compounds

(1R,2R,9S)-11-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195617
(1R,2R,9R)-11-[4-(4-prop-2-enylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195491
(1R,2R,9R)-11-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110195428
11-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 156610610
(2R)-11-[4-(6-methylpyridine-3-carbonyl)piperazine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804201
N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 110195537
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 134804376
(2R)-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804806
N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]-2-phenylacetamide
CID 134804170
(1R,2R,9R)-11-(pyrazine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 110194953
2-cyclohexyl-N-[1-[(1R,2R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]acetamide
CID 110195552
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866

Frequently Asked Questions

What is the IUPAC name of (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 134804657) is (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is O=C(C1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is FCCSWHLDBBGMHU-KITAHSCOSA-N. The full InChI is InChI=1S/C26H37N7O3/c34-23-4-1-3-22-21-15-19(17-33(22)23)16-32(18-21)26(36)31-9-5-20(6-10-31)24(35)29-11-13-30(14-12-29)25-27-7-2-8-28-25/h2,7-8,19-22H,1,3-6,9-18H2/t19?,21?,22-/m1/s1.
What are the key properties of (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 495.63 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 134804657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).