N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C23H29N3O3 — CID 46510601

IUPACN-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C23H29N3O3/c1-16(2)21(27)24-12-13-25-22(28)18-9-6-14-26(15-18)23(29)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,16,18H,6,9,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBNWQNFWMWMRIMK-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 46510601) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID46510601
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C23H29N3O3/c1-16(2)21(27)24-12-13-25-22(28)18-9-6-14-26(15-18)23(29)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,16,18H,6,9,12-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyBNWQNFWMWMRIMK-UHFFFAOYSA-N
XLogP2.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46456130
1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 55933319
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-(naphthalene-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 24542998
N-(3-methyl-2-morpholin-4-ylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 134055842
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 46510601) is N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CC(C)C(=O)NCCNC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is BNWQNFWMWMRIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)21(27)24-12-13-25-22(28)18-9-6-14-26(15-18)23(29)20-11-5-8-17-7-3-4-10-19(17)20/h3-5,7-8,10-11,16,18H,6,9,12-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 46510601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).