(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

C19H22N4O4 — CID 51725834

IUPAC(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C19H22N4O4/c20-19(26)22-16-5-3-13(4-6-16)10-21-17(24)14-2-1-8-23(11-14)18(25)15-7-9-27-12-15/h3-7,9,12,14H,1-2,8,10-11H2,(H,21,24)(H3,20,22,26)/t14-/m1/s1
InChIKeyUYAYRAWDNHOVHZ-CQSZACIVSA-N
MW370.41 g/mol
LogP1.94
Rot. Bonds5

About (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide

(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (PubChem CID 51725834) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
PubChem CID51725834
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
SMILESNC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1
InChIInChI=1S/C19H22N4O4/c20-19(26)22-16-5-3-13(4-6-16)10-21-17(24)14-2-1-8-23(11-14)18(25)15-7-9-27-12-15/h3-7,9,12,14H,1-2,8,10-11H2,(H,21,24)(H3,20,22,26)/t14-/m1/s1
InChIKeyUYAYRAWDNHOVHZ-CQSZACIVSA-N
XLogP1.94
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
1-(furan-3-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 3620848
methyl 4-[[1-(furan-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 46568061
(3R)-N-benzyl-1-[1-(furan-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26393459
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide (CID 51725834) is (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is NC(=O)Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)cc1.
What is the InChIKey of (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is UYAYRAWDNHOVHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O4/c20-19(26)22-16-5-3-13(4-6-16)10-21-17(24)14-2-1-8-23(11-14)18(25)15-7-9-27-12-15/h3-7,9,12,14H,1-2,8,10-11H2,(H,21,24)(H3,20,22,26)/t14-/m1/s1.
What are the key properties of (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide?
(3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(carbamoylamino)phenyl]methyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 51725834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).