1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

C23H32N6O — CID 70770161

IUPAC1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESNc1ccnc(N2CCC(N3CCCC(C(=O)NCCc4ccccc4)C3)CC2)n1
InChIInChI=1S/C23H32N6O/c24-21-9-13-26-23(27-21)28-15-10-20(11-16-28)29-14-4-7-19(17-29)22(30)25-12-8-18-5-2-1-3-6-18/h1-3,5-6,9,13,19-20H,4,7-8,10-12,14-17H2,(H,25,30)(H2,24,26,27)
InChIKeyRHOBSWREDQLQER-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.10
Rot. Bonds6

About 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide

1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 70770161) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID70770161
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESNc1ccnc(N2CCC(N3CCCC(C(=O)NCCc4ccccc4)C3)CC2)n1
InChIInChI=1S/C23H32N6O/c24-21-9-13-26-23(27-21)28-15-10-20(11-16-28)29-14-4-7-19(17-29)22(30)25-12-8-18-5-2-1-3-6-18/h1-3,5-6,9,13,19-20H,4,7-8,10-12,14-17H2,(H,25,30)(H2,24,26,27)
InChIKeyRHOBSWREDQLQER-UHFFFAOYSA-N
XLogP2.10
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552295
(3S)-N-(2-phenylethyl)-1-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571753
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 56877941
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3R)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96575197
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
(3R)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553576
(3S)-N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553575
N-(2-methoxyethyl)-1-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873787

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 70770161) is 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is Nc1ccnc(N2CCC(N3CCCC(C(=O)NCCc4ccccc4)C3)CC2)n1.
What is the InChIKey of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is RHOBSWREDQLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c24-21-9-13-26-23(27-21)28-15-10-20(11-16-28)29-14-4-7-19(17-29)22(30)25-12-8-18-5-2-1-3-6-18/h1-3,5-6,9,13,19-20H,4,7-8,10-12,14-17H2,(H,25,30)(H2,24,26,27).
What are the key properties of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide?
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 70770161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).