N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C16H23N5OS — CID 53499624

IUPACN-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H23N5OS/c1-14(11-20-5-4-17-13-20)18-16(22)21-8-6-19(7-9-21)12-15-3-2-10-23-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,18,22)
InChIKeyHRMVIOULCBLMCC-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.86
Rot. Bonds5

About N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 53499624) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID53499624
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C16H23N5OS/c1-14(11-20-5-4-17-13-20)18-16(22)21-8-6-19(7-9-21)12-15-3-2-10-23-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,18,22)
InChIKeyHRMVIOULCBLMCC-UHFFFAOYSA-N
XLogP1.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 75382647
N-[4-(1H-imidazol-1-yl)butyl]-2-thiophenecarboxamide
CID 13371093
6,7-Dihydrothieno[3,2-C]pyridin-5(4h)-Yl(1h-Imidazol-1-Yl)methanone
CID 40126930
1-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71808251
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 71916239
N-[3-(1H-imidazol-1-yl)propyl]-2-thiophenecarboxamide
CID 2842773
1-{[1-(Propan-2-YL)-1H-imidazol-4-YL]sulfonyl}-N-[(thiophen-2-YL)methyl]piperidine-4-carboxamide
CID 53085592
1-[1-(4-Imidazol-1-ylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 42928191
N-(3-imidazol-1-ylpropyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 45829758
N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 53499624) is N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is CC(Cn1ccnc1)NC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HRMVIOULCBLMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-14(11-20-5-4-17-13-20)18-16(22)21-8-6-19(7-9-21)12-15-3-2-10-23-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,18,22).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53499624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).