(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C21H30N4O2 — CID 95415295

IUPAC(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C21H30N4O2/c1-15-4-5-16(13-22-15)21(27)24-11-8-19(9-12-24)25-10-2-3-17(14-25)20(26)23-18-6-7-18/h4-5,13,17-19H,2-3,6-12,14H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyLYSIVWUXIKHFRY-QGZVFWFLSA-N
MW370.50 g/mol
LogP1.99
Rot. Bonds4

About (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95415295) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95415295
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1
InChIInChI=1S/C21H30N4O2/c1-15-4-5-16(13-22-15)21(27)24-11-8-19(9-12-24)25-10-2-3-17(14-25)20(26)23-18-6-7-18/h4-5,13,17-19H,2-3,6-12,14H2,1H3,(H,23,26)/t17-/m1/s1
InChIKeyLYSIVWUXIKHFRY-QGZVFWFLSA-N
XLogP1.99
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
(3R)-N-cyclopropyl-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549906
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
(3S)-N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557954
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56878546
N-cyclopropyl-1-[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56918441
(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549628
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
N-cyclopropyl-1-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56870281
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
N-cyclopropyl-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 56865488

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 95415295) is (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cn1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is LYSIVWUXIKHFRY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15-4-5-16(13-22-15)21(27)24-11-8-19(9-12-24)25-10-2-3-17(14-25)20(26)23-18-6-7-18/h4-5,13,17-19H,2-3,6-12,14H2,1H3,(H,23,26)/t17-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95415295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).