N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide

C22H35N5OS — CID 29185301

IUPACN-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1
InChIInChI=1S/C22H35N5OS/c28-21(24-18-3-4-18)17-5-13-26(14-6-17)19-7-11-25(12-8-19)16-20-15-23-22(29-20)27-9-1-2-10-27/h15,17-19H,1-14,16H2,(H,24,28)
InChIKeyCUHGZPJZCNRRGK-UHFFFAOYSA-N
MW417.62 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 29185301) has the molecular formula C22H35N5OS and a molecular weight of 417.62 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID29185301
Molecular FormulaC22H35N5OS
Molecular Weight417.62 g/mol
Exact Mass417.26
IUPAC NameN-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1
InChIInChI=1S/C22H35N5OS/c28-21(24-18-3-4-18)17-5-13-26(14-6-17)19-7-11-25(12-8-19)16-20-15-23-22(29-20)27-9-1-2-10-27/h15,17-19H,1-14,16H2,(H,24,28)
InChIKeyCUHGZPJZCNRRGK-UHFFFAOYSA-N
XLogP2.70
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 163368407
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
N-isopropyl-1'-{[2-(1-pyrrolidinyl)-1,3-thiazol-5-yl]methyl}-1,4'-bipiperidine-4-carboxamide
CID 25386247
4-[4-(fluoromethyl)-2-oxopyrrolidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126899727
N-cyclopropyl-1'-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-1,4'-bipiperidine-4-carboxamide
CID 26407278
[1-[1-[[2-(Dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 28139473
3-(1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-piperidinyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]propanamide
CID 45239292
N-cyclopropyl-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117088345
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117088651
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 120903005
4,4-dimethyl-N-[5-[[(1-propan-2-ylpiperidine-4-carbonyl)amino]methyl]-1,3-thiazol-2-yl]piperazin-4-ium-1-carboxamide
CID 172499449
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 175454280

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide (CID 29185301) is N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is CUHGZPJZCNRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5OS/c28-21(24-18-3-4-18)17-5-13-26(14-6-17)19-7-11-25(12-8-19)16-20-15-23-22(29-20)27-9-1-2-10-27/h15,17-19H,1-14,16H2,(H,24,28).
What are the key properties of N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 417.62 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 29185301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).