(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide

C23H38N4O — CID 169298692

IUPAC(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide
SMILES[H]/N=C(\N)N1CCC[C@@H](C(=O)Nc2ccc(CCCCCCCCCC)cc2)C1
InChIInChI=1S/C23H38N4O/c1-2-3-4-5-6-7-8-9-11-19-13-15-21(16-14-19)26-22(28)20-12-10-17-27(18-20)23(24)25/h13-16,20H,2-12,17-18H2,1H3,(H3,24,25)(H,26,28)/t20-/m1/s1
InChIKeyWVEOXNWHYYZWMP-HXUWFJFHSA-N
MW386.58 g/mol
LogP4.91
Rot. Bonds11

About (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide

(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide (PubChem CID 169298692) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide
PubChem CID169298692
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide
SMILES[H]/N=C(\N)N1CCC[C@@H](C(=O)Nc2ccc(CCCCCCCCCC)cc2)C1
InChIInChI=1S/C23H38N4O/c1-2-3-4-5-6-7-8-9-11-19-13-15-21(16-14-19)26-22(28)20-12-10-17-27(18-20)23(24)25/h13-16,20H,2-12,17-18H2,1H3,(H3,24,25)(H,26,28)/t20-/m1/s1
InChIKeyWVEOXNWHYYZWMP-HXUWFJFHSA-N
XLogP4.91
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide
CID 118734406
(3R)-1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628911
(3S)-3-[[(4-butylphenyl)carbamothioylamino]carbamoyl]piperidine-1-carboxamide
CID 8969879
1-N-phenyl-3-N-(4-propylphenyl)piperidine-1,3-dicarboxamide
CID 24503682
1-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]-3-(4-butylphenyl)thiourea
CID 9272620
1-methyl-N-[(4-pentylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 11695947
4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
CID 162755830
(2S)-1-carbamimidoyl-N-[(4-octylphenyl)methyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118734407
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924997
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545

Frequently Asked Questions

What is the IUPAC name of (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide (CID 169298692) is (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide is [H]/N=C(\N)N1CCC[C@@H](C(=O)Nc2ccc(CCCCCCCCCC)cc2)C1.
What is the InChIKey of (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide?
The InChIKey is WVEOXNWHYYZWMP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H38N4O/c1-2-3-4-5-6-7-8-9-11-19-13-15-21(16-14-19)26-22(28)20-12-10-17-27(18-20)23(24)25/h13-16,20H,2-12,17-18H2,1H3,(H3,24,25)(H,26,28)/t20-/m1/s1.
What are the key properties of (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide?
(3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide has a molecular weight of 386.58 g/mol, XLogP of 4.91, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-carbamimidoyl-N-(4-decylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 169298692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).