(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide

C17H24N4O2 — CID 99940335

IUPAC(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)[nH]1
InChIInChI=1S/C17H24N4O2/c1-13-9-18-16(19-13)12-20(2)17(22)14-5-3-7-21(10-14)11-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyGFTPLPMIRKHZJR-CQSZACIVSA-N
MW316.40 g/mol
LogP2.18
Rot. Bonds5

About (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 99940335) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID99940335
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1cnc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)[nH]1
InChIInChI=1S/C17H24N4O2/c1-13-9-18-16(19-13)12-20(2)17(22)14-5-3-7-21(10-14)11-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyGFTPLPMIRKHZJR-CQSZACIVSA-N
XLogP2.18
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide
CID 72881872
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72870110
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 97277137
N-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 157019045
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(furan-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 53166017
[1-(furan-2-ylmethyl)piperidin-3-yl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 72840488
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 97188319
(3S)-1-(furan-2-ylmethyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95194976

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide (CID 99940335) is (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide is Cc1cnc(CN(C)C(=O)[C@@H]2CCCN(Cc3ccco3)C2)[nH]1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is GFTPLPMIRKHZJR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-9-18-16(19-13)12-20(2)17(22)14-5-3-7-21(10-14)11-15-6-4-8-23-15/h4,6,8-9,14H,3,5,7,10-12H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 99940335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).