N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide

C19H31N3O — CID 119850601

IUPACN-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(C)N(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C19H31N3O/c1-15(17-9-11-20-12-10-17)13-19(23)21-14-16(2)22(3)18-7-5-4-6-8-18/h4-8,15-17,20H,9-14H2,1-3H3,(H,21,23)
InChIKeyLEFJHWSDKZVKBY-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide

N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide (PubChem CID 119850601) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
PubChem CID119850601
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(C)N(C)c1ccccc1)C1CCNCC1
InChIInChI=1S/C19H31N3O/c1-15(17-9-11-20-12-10-17)13-19(23)21-14-16(2)22(3)18-7-5-4-6-8-18/h4-8,15-17,20H,9-14H2,1-3H3,(H,21,23)
InChIKeyLEFJHWSDKZVKBY-UHFFFAOYSA-N
XLogP2.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119849977
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
CID 119830049
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119850674
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide (CID 119850601) is N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(C)N(C)c1ccccc1)C1CCNCC1.
What is the InChIKey of N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide?
The InChIKey is LEFJHWSDKZVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(17-9-11-20-12-10-17)13-19(23)21-14-16(2)22(3)18-7-5-4-6-8-18/h4-8,15-17,20H,9-14H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide?
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide has a molecular weight of 317.48 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119850601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).