(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide

C19H29N5O2 — CID 128977579

IUPAC(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCO[C@@H]1C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c20-19(25)15-6-11-26-18(15)14-4-9-24(10-5-14)17-12-16(21-13-22-17)23-7-2-1-3-8-23/h12-15,18H,1-11H2,(H2,20,25)/t15-,18+/m0/s1
InChIKeyAPEIJTKOTDAJFE-MAUKXSAKSA-N
MW359.47 g/mol
LogP1.57
Rot. Bonds4

About (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128977579) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128977579
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide
SMILESNC(=O)[C@H]1CCO[C@@H]1C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O2/c20-19(25)15-6-11-26-18(15)14-4-9-24(10-5-14)17-12-16(21-13-22-17)23-7-2-1-3-8-23/h12-15,18H,1-11H2,(H2,20,25)/t15-,18+/m0/s1
InChIKeyAPEIJTKOTDAJFE-MAUKXSAKSA-N
XLogP1.57
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide with MolForge

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Related Compounds

(2R,3S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977647
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
oxan-4-yl-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343062
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977581
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
2-[methyl-[[(2R)-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholin-2-yl]methyl]amino]acetamide
CID 125141326
(2R,3S)-2-[1-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154759723

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide (CID 128977579) is (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide is NC(=O)[C@H]1CCO[C@@H]1C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is APEIJTKOTDAJFE-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H29N5O2/c20-19(25)15-6-11-26-18(15)14-4-9-24(10-5-14)17-12-16(21-13-22-17)23-7-2-1-3-8-23/h12-15,18H,1-11H2,(H2,20,25)/t15-,18+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128977579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).