N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide

C24H31N3O3 — CID 3430014

IUPACN-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1N1CCCCC1
InChIInChI=1S/C24H31N3O3/c1-4-17(2)25-24(29)21-16-19(11-12-22(21)27-13-6-5-7-14-27)26-23(28)18-9-8-10-20(15-18)30-3/h8-12,15-17H,4-7,13-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyFVWJJEWQYQRRIF-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.47
Rot. Bonds7

About N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide

N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 3430014) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID3430014
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1N1CCCCC1
InChIInChI=1S/C24H31N3O3/c1-4-17(2)25-24(29)21-16-19(11-12-22(21)27-13-6-5-7-14-27)26-23(28)18-9-8-10-20(15-18)30-3/h8-12,15-17H,4-7,13-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyFVWJJEWQYQRRIF-UHFFFAOYSA-N
XLogP4.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-2,6-dimethoxybenzamide
CID 1059204
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
CID 1059167
N-butan-2-yl-5-[(2,4-dimethoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 4574277
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N-[(2R)-butan-2-yl]-5-[(3-nitrobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059138
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-(3-ethoxypropyl)-5-[(3-methoxybenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 3573870
3-methoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42678385
5-[(3-chlorobenzoyl)amino]-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 42751129
N-[(2R)-butan-2-yl]-5-[(3-methylphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1065110

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 3430014) is N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1N1CCCCC1.
What is the InChIKey of N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is FVWJJEWQYQRRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-17(2)25-24(29)21-16-19(11-12-22(21)27-13-6-5-7-14-27)26-23(28)18-9-8-10-20(15-18)30-3/h8-12,15-17H,4-7,13-14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide?
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 409.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 3430014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).