(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C20H27N7O2 — CID 95549628

IUPAC(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1
InChIInChI=1S/C20H27N7O2/c28-19(21-16-4-5-16)14-2-1-9-26(12-14)17-7-10-25(11-8-17)20(29)15-3-6-18-22-23-24-27(18)13-15/h3,6,13-14,16-17H,1-2,4-5,7-12H2,(H,21,28)/t14-/m0/s1
InChIKeySBHUVDPSNNGQRN-AWEZNQCLSA-N
MW397.48 g/mol
LogP0.72
Rot. Bonds4

About (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95549628) has the molecular formula C20H27N7O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95549628
Molecular FormulaC20H27N7O2
Molecular Weight397.48 g/mol
Exact Mass397.22
IUPAC Name(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1
InChIInChI=1S/C20H27N7O2/c28-19(21-16-4-5-16)14-2-1-9-26(12-14)17-7-10-25(11-8-17)20(29)15-3-6-18-22-23-24-27(18)13-15/h3,6,13-14,16-17H,1-2,4-5,7-12H2,(H,21,28)/t14-/m0/s1
InChIKeySBHUVDPSNNGQRN-AWEZNQCLSA-N
XLogP0.72
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
(3S)-N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557954
N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56878546
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
N-cyclopropyl-1-[1-(phenylcarbamoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45220733
N-cyclopropyl-1-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870819
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95549628) is (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(C2CCN(C(=O)c3ccc4nnnn4c3)CC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is SBHUVDPSNNGQRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H27N7O2/c28-19(21-16-4-5-16)14-2-1-9-26(12-14)17-7-10-25(11-8-17)20(29)15-3-6-18-22-23-24-27(18)13-15/h3,6,13-14,16-17H,1-2,4-5,7-12H2,(H,21,28)/t14-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95549628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).