(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide

C16H22ClN3O3 — CID 95584937

IUPAC(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-9(2)23-15-13(17)6-12(7-19-15)16(22)20-8-11(14(18)21)5-4-10(20)3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,18,21)/t10-,11+/m0/s1
InChIKeyWOTVHEYLRBUWAI-WDEREUQCSA-N
MW339.82 g/mol
LogP2.25
Rot. Bonds4

About (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide

(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide (PubChem CID 95584937) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide
PubChem CID95584937
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-9(2)23-15-13(17)6-12(7-19-15)16(22)20-8-11(14(18)21)5-4-10(20)3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,18,21)/t10-,11+/m0/s1
InChIKeyWOTVHEYLRBUWAI-WDEREUQCSA-N
XLogP2.25
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112919
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 71927930
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
1-(2-fluoropyridine-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 61292731
[1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 55854581
(5-chloro-6-propan-2-yloxy-3-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819037
4-(5-carbamoyl-2-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 115730234
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
5-chloro-N-(1-cyclopropylethyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 75415942
1-[4-(chloromethyl)benzoyl]-6-methylpiperidine-3-carboxamide
CID 60948058
(3S,6R)-1-(5-bromothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 93380872
(3R,6R)-6-methyl-1-(6-morpholin-4-ylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 95585110

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide (CID 95584937) is (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide is CC(C)Oc1ncc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl.
What is the InChIKey of (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is WOTVHEYLRBUWAI-WDEREUQCSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-9(2)23-15-13(17)6-12(7-19-15)16(22)20-8-11(14(18)21)5-4-10(20)3/h6-7,9-11H,4-5,8H2,1-3H3,(H2,18,21)/t10-,11+/m0/s1.
What are the key properties of (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide?
(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95584937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).