N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

C20H26N4OS — CID 155873343

IUPACN-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H26N4OS/c1-15-2-4-16(5-3-15)14-24-11-8-20(9-12-24,18(25)22-17-6-7-17)23-19-21-10-13-26-19/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,21,23)(H,22,25)
InChIKeyMCHGUXYIZVOOFQ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.18
Rot. Bonds6

About N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155873343) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155873343
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H26N4OS/c1-15-2-4-16(5-3-15)14-24-11-8-20(9-12-24,18(25)22-17-6-7-17)23-19-21-10-13-26-19/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,21,23)(H,22,25)
InChIKeyMCHGUXYIZVOOFQ-UHFFFAOYSA-N
XLogP3.18
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799
N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872689
N-cyclopropyl-1-(6-methylpyridine-3-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873367
N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874284
1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872915
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)acetyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155858205
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873912
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487879
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155873343) is N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is Cc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is MCHGUXYIZVOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15-2-4-16(5-3-15)14-24-11-8-20(9-12-24,18(25)22-17-6-7-17)23-19-21-10-13-26-19/h2-5,10,13,17H,6-9,11-12,14H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155873343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).