(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide

C20H26N4O2 — CID 52516463

IUPAC(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCCNC(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C20H26N4O2/c21-19(25)16-8-4-12-24(14-16)13-5-11-22-20(26)23-18-10-3-7-15-6-1-2-9-17(15)18/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H2,21,25)(H2,22,23,26)/t16-/m0/s1
InChIKeyGUKIIGBMRGZNQW-INIZCTEOSA-N
MW354.45 g/mol
LogP2.55
Rot. Bonds6

About (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide

(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide (PubChem CID 52516463) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
PubChem CID52516463
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCCNC(=O)Nc2cccc3ccccc23)C1
InChIInChI=1S/C20H26N4O2/c21-19(25)16-8-4-12-24(14-16)13-5-11-22-20(26)23-18-10-3-7-15-6-1-2-9-17(15)18/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H2,21,25)(H2,22,23,26)/t16-/m0/s1
InChIKeyGUKIIGBMRGZNQW-INIZCTEOSA-N
XLogP2.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
1-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-naphthalen-1-ylurea
CID 95318276
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 11317629
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
(3S)-1-[3-[(4-carbamoyl-3-chlorophenyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 97445320
1-[3-[(5-fluoro-3-pyridinyl)carbamoylamino]propyl]piperidine-3-carboxamide
CID 118767012
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
1-[3-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111359170
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727
1-[3-(methylamino)propyl]piperidine-3-carboxamide
CID 61386237
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide (CID 52516463) is (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CCCNC(=O)Nc2cccc3ccccc23)C1.
What is the InChIKey of (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide?
The InChIKey is GUKIIGBMRGZNQW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-19(25)16-8-4-12-24(14-16)13-5-11-22-20(26)23-18-10-3-7-15-6-1-2-9-17(15)18/h1-3,6-7,9-10,16H,4-5,8,11-14H2,(H2,21,25)(H2,22,23,26)/t16-/m0/s1.
What are the key properties of (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide?
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 52516463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).