N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

C16H26N4OS — CID 95760970

IUPACN-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)N2CCC(N3CCCC3)CC2)cs1
InChIInChI=1S/C16H26N4OS/c1-12(15-11-22-13(2)18-15)17-16(21)20-9-5-14(6-10-20)19-7-3-4-8-19/h11-12,14H,3-10H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyPCNXQDFFIJRXCE-GFCCVEGCSA-N
MW322.48 g/mol
LogP2.78
Rot. Bonds3

About N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 95760970) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID95760970
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC NameN-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCc1nc([C@@H](C)NC(=O)N2CCC(N3CCCC3)CC2)cs1
InChIInChI=1S/C16H26N4OS/c1-12(15-11-22-13(2)18-15)17-16(21)20-9-5-14(6-10-20)19-7-3-4-8-19/h11-12,14H,3-10H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyPCNXQDFFIJRXCE-GFCCVEGCSA-N
XLogP2.78
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
5,8-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71923068
(2-methyl-1,3-thiazol-4-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110465363
2-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 108737160
4-imidazo[1,2-b]pyridazin-6-yl-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 126432065
N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 99974343
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258
1-methyl-1-(4-methylcyclohexyl)-3-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]urea
CID 95760979
4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]cyclohexan-1-ol
CID 43670089
N-cyclopropyl-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 113248241

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 95760970) is N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is Cc1nc([C@@H](C)NC(=O)N2CCC(N3CCCC3)CC2)cs1.
What is the InChIKey of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is PCNXQDFFIJRXCE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-12(15-11-22-13(2)18-15)17-16(21)20-9-5-14(6-10-20)19-7-3-4-8-19/h11-12,14H,3-10H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 322.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 95760970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).