[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

C21H29N3OS — CID 95727240

IUPAC[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cs1
InChIInChI=1S/C21H29N3OS/c1-16(2)20-13-17(15-26-20)21(25)24-11-6-8-19(14-24)23(3)12-9-18-7-4-5-10-22-18/h4-5,7,10,13,15-16,19H,6,8-9,11-12,14H2,1-3H3/t19-/m0/s1
InChIKeySQHIIYFFQCZAON-IBGZPJMESA-N
MW371.55 g/mol
LogP4.05
Rot. Bonds6

About [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone

[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (PubChem CID 95727240) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
PubChem CID95727240
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cs1
InChIInChI=1S/C21H29N3OS/c1-16(2)20-13-17(15-26-20)21(25)24-11-6-8-19(14-24)23(3)12-9-18-7-4-5-10-22-18/h4-5,7,10,13,15-16,19H,6,8-9,11-12,14H2,1-3H3/t19-/m0/s1
InChIKeySQHIIYFFQCZAON-IBGZPJMESA-N
XLogP4.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone with MolForge

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Related Compounds

(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
CID 56701731
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 56912433
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
CID 45179784
1-ethyl-6-methyl-3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]pyridin-2-one
CID 56894066
methyl 4-[[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 45234205
[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 45249482
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
1-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 166764311
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The IUPAC name of [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone (CID 95727240) is [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone.
What is the SMILES notation for [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The canonical SMILES for [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC[C@H](N(C)CCc3ccccn3)C2)cs1.
What is the InChIKey of [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
The InChIKey is SQHIIYFFQCZAON-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3OS/c1-16(2)20-13-17(15-26-20)21(25)24-11-6-8-19(14-24)23(3)12-9-18-7-4-5-10-22-18/h4-5,7,10,13,15-16,19H,6,8-9,11-12,14H2,1-3H3/t19-/m0/s1.
What are the key properties of [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone?
[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone has a molecular weight of 371.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone is sourced from PubChem (CID 95727240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).