N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide

C21H27N3O3 — CID 51130056

IUPACN-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H27N3O3/c1-15-9-12-27-19(15)20(25)22-18-7-10-24(11-8-18)14-16-5-4-6-17(13-16)21(26)23(2)3/h4-6,9,12-13,18H,7-8,10-11,14H2,1-3H3,(H,22,25)
InChIKeyYHKGZIGEPJDDRW-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.68
Rot. Bonds5

About N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide

N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide (PubChem CID 51130056) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
PubChem CID51130056
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1
InChIInChI=1S/C21H27N3O3/c1-15-9-12-27-19(15)20(25)22-18-7-10-24(11-8-18)14-16-5-4-6-17(13-16)21(26)23(2)3/h4-6,9,12-13,18H,7-8,10-11,14H2,1-3H3,(H,22,25)
InChIKeyYHKGZIGEPJDDRW-UHFFFAOYSA-N
XLogP2.68
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548585
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
N-[3-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111771135
N-cyclopropyl-3-methylfuran-2-carboxamide
CID 60675996
N,N-dimethyl-3-[[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]methyl]benzamide
CID 55989493
N-[1-[(3-ethylphenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119044723
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-methylfuran-2-carboxamide
CID 39302279
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120776525
3-[[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 95309881
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
N-[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide
CID 56555542
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide (CID 51130056) is N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC1CCN(Cc2cccc(C(=O)N(C)C)c2)CC1.
What is the InChIKey of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide?
The InChIKey is YHKGZIGEPJDDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-9-12-27-19(15)20(25)22-18-7-10-24(11-8-18)14-16-5-4-6-17(13-16)21(26)23(2)3/h4-6,9,12-13,18H,7-8,10-11,14H2,1-3H3,(H,22,25).
What are the key properties of N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide?
N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(dimethylcarbamoyl)phenyl]methyl]piperidin-4-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 51130056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).