(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide

C19H26N4O2 — CID 95046843

IUPAC(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)[C@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C19H26N4O2/c24-18(21-13-19(5-6-19)14-23-9-7-20-15-23)16-3-1-8-22(11-16)12-17-4-2-10-25-17/h2,4,7,9-10,15-16H,1,3,5-6,8,11-14H2,(H,21,24)/t16-/m0/s1
InChIKeyGSMNBFFUCXUXQY-INIZCTEOSA-N
MW342.44 g/mol
LogP2.28
Rot. Bonds7

About (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide

(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide (PubChem CID 95046843) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide
PubChem CID95046843
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)[C@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C19H26N4O2/c24-18(21-13-19(5-6-19)14-23-9-7-20-15-23)16-3-1-8-22(11-16)12-17-4-2-10-25-17/h2,4,7,9-10,15-16H,1,3,5-6,8,11-14H2,(H,21,24)/t16-/m0/s1
InChIKeyGSMNBFFUCXUXQY-INIZCTEOSA-N
XLogP2.28
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(furan-2-ylmethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97186745
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941
1-(furan-2-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 72886430
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
1-(furan-2-ylmethyl)-N-[2-(methylsulfamoyl)ethyl]piperidine-3-carboxamide
CID 46991870
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97284250
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97269175
1-(cyclohexylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxamide
CID 72899173
(3S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97283477

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide (CID 95046843) is (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide is O=C(NCC1(Cn2ccnc2)CC1)[C@H]1CCCN(Cc2ccco2)C1.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide?
The InChIKey is GSMNBFFUCXUXQY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c24-18(21-13-19(5-6-19)14-23-9-7-20-15-23)16-3-1-8-22(11-16)12-17-4-2-10-25-17/h2,4,7,9-10,15-16H,1,3,5-6,8,11-14H2,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide?
(3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-ylmethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95046843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).