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

C18H28N6O — CID 56877941

IUPAC1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESNc1ccnc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1
InChIInChI=1S/C18H28N6O/c19-16-5-8-20-18(22-16)23-10-6-15(7-11-23)24-9-1-2-13(12-24)17(25)21-14-3-4-14/h5,8,13-15H,1-4,6-7,9-12H2,(H,21,25)(H2,19,20,22)
InChIKeyVQNDXBBTWFNCFM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.02
Rot. Bonds4

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

1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 56877941) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID56877941
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESNc1ccnc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1
InChIInChI=1S/C18H28N6O/c19-16-5-8-20-18(22-16)23-10-6-15(7-11-23)24-9-1-2-13(12-24)17(25)21-14-3-4-14/h5,8,13-15H,1-4,6-7,9-12H2,(H,21,25)(H2,19,20,22)
InChIKeyVQNDXBBTWFNCFM-UHFFFAOYSA-N
XLogP1.02
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161
N-cyclopropyl-1-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56863023
(3S)-1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95552295
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488
(3R)-N-cyclopropyl-1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
CID 95557835
(3S)-N-cyclopropyl-1-(1-quinoxalin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95550020
(3R)-N-cyclopropyl-1-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95548890
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-cyclobutylpiperidine-3-carboxamide
CID 26324983
(3R)-N-cyclopropyl-1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95532217
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide (CID 56877941) is 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide is Nc1ccnc(N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)n1.
What is the InChIKey of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is VQNDXBBTWFNCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c19-16-5-8-20-18(22-16)23-10-6-15(7-11-23)24-9-1-2-13(12-24)17(25)21-14-3-4-14/h5,8,13-15H,1-4,6-7,9-12H2,(H,21,25)(H2,19,20,22).
What are the key properties of 1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.02, 4 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-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 56877941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).