4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide

C16H22N4OS — CID 124890430

IUPAC4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1cccs1
InChIInChI=1S/C16H22N4OS/c1-2-13(15-4-3-9-22-15)19-16(21)20-7-5-12(6-8-20)14-10-17-11-18-14/h3-4,9-13H,2,5-8H2,1H3,(H,17,18)(H,19,21)/t13-/m0/s1
InChIKeyTYPRSTIDCMZKLM-ZDUSSCGKSA-N
MW318.45 g/mol
LogP3.51
Rot. Bonds4

About 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide

4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide (PubChem CID 124890430) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
PubChem CID124890430
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESCC[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1cccs1
InChIInChI=1S/C16H22N4OS/c1-2-13(15-4-3-9-22-15)19-16(21)20-7-5-12(6-8-20)14-10-17-11-18-14/h3-4,9-13H,2,5-8H2,1H3,(H,17,18)(H,19,21)/t13-/m0/s1
InChIKeyTYPRSTIDCMZKLM-ZDUSSCGKSA-N
XLogP3.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
(2S)-2-[(2S)-oxolan-2-yl]-N-[(1S)-1-thiophen-2-ylpropyl]morpholine-4-carboxamide
CID 97096465
4-pyrimidin-2-yl-N-(1-thiophen-2-ylpropyl)piperazine-1-carboxamide
CID 60547485
(3R,4R)-3-methoxy-4-methyl-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 129431123
4-(oxan-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperazine-1-carboxamide
CID 124608917
4-(1-hydroxyethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 111438385
3-piperidin-1-yl-N-[(1S)-1-thiophen-2-ylpropyl]azetidine-1-carboxamide
CID 126425885
N-[(1S)-1-thiophen-2-ylpropyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
CID 126453676
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 129359240
4-(hydroxymethyl)-N-(3-methyl-1-thiophen-2-ylbutyl)piperidine-1-carboxamide
CID 110901055

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide (CID 124890430) is 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide is CC[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1cccs1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The InChIKey is TYPRSTIDCMZKLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-13(15-4-3-9-22-15)19-16(21)20-7-5-12(6-8-20)14-10-17-11-18-14/h3-4,9-13H,2,5-8H2,1H3,(H,17,18)(H,19,21)/t13-/m0/s1.
What are the key properties of 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide?
4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 124890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).