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

C20H26N4O2S — CID 155873799

IUPACN-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-26-17-6-2-15(3-7-17)14-24-11-8-20(9-12-24,18(25)22-16-4-5-16)23-19-21-10-13-27-19/h2-3,6-7,10,13,16H,4-5,8-9,11-12,14H2,1H3,(H,21,23)(H,22,25)
InChIKeyINAGZWXQZGCZIK-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.88
Rot. Bonds7

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

N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155873799) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155873799
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCOc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H26N4O2S/c1-26-17-6-2-15(3-7-17)14-24-11-8-20(9-12-24,18(25)22-16-4-5-16)23-19-21-10-13-27-19/h2-3,6-7,10,13,16H,4-5,8-9,11-12,14H2,1H3,(H,21,23)(H,22,25)
InChIKeyINAGZWXQZGCZIK-UHFFFAOYSA-N
XLogP2.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873343
N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874284
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
N-cyclopropyl-1-(6-methylpyridine-3-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873367
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)acetyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155858205
N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873912
(2R)-6-[(4-methoxyphenyl)methyl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
CID 129475121
2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 770967
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125432539
1-[(4-methoxyphenyl)methyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidin-4-ol
CID 100645781
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155873799) is N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is COc1ccc(CN2CCC(Nc3nccs3)(C(=O)NC3CC3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is INAGZWXQZGCZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-26-17-6-2-15(3-7-17)14-24-11-8-20(9-12-24,18(25)22-16-4-5-16)23-19-21-10-13-27-19/h2-3,6-7,10,13,16H,4-5,8-9,11-12,14H2,1H3,(H,21,23)(H,22,25).
What are the key properties of N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155873799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).