1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide

C19H29N3O3 — CID 87035683

IUPAC1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCCCOc1ccccc1NC(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-4-5-14-25-17-9-7-6-8-16(17)20-19(24)22-12-10-15(11-13-22)18(23)21(2)3/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24)
InChIKeyPPCCDNLTOXFAJN-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.20
Rot. Bonds6

About 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide

1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 87035683) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID87035683
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCCCCOc1ccccc1NC(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C19H29N3O3/c1-4-5-14-25-17-9-7-6-8-16(17)20-19(24)22-12-10-15(11-13-22)18(23)21(2)3/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24)
InChIKeyPPCCDNLTOXFAJN-UHFFFAOYSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
4-benzoyl-N-[2-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47493503
1-[[2-(3-methoxypropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077530
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
butyl 2-[(4-carbamoylpiperidine-1-carbonyl)amino]benzoate
CID 3838122
1-[[2-(cyclopropylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085447
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-butyl-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 87014819
N-(2-ethoxyphenyl)-4-thiophen-2-ylpiperidine-1-carboxamide
CID 90522272
N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 17087162
N-(2-butoxyphenyl)propanamide
CID 15943029
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide (CID 87035683) is 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide is CCCCOc1ccccc1NC(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is PPCCDNLTOXFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-5-14-25-17-9-7-6-8-16(17)20-19(24)22-12-10-15(11-13-22)18(23)21(2)3/h6-9,15H,4-5,10-14H2,1-3H3,(H,20,24).
What are the key properties of 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide?
1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-butoxyphenyl)-4-N,4-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 87035683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).