N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide

C19H31N3O — CID 123461510

IUPACN-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESCC(C)CNCc1ccc(NC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-16(2)14-20-15-17-6-8-18(9-7-17)21-19(23)10-13-22-11-4-3-5-12-22/h6-9,16,20H,3-5,10-15H2,1-2H3,(H,21,23)
InChIKeyBFFKQVOCCIFYCH-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.25
Rot. Bonds8

About N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide

N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 123461510) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID123461510
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESCC(C)CNCc1ccc(NC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O/c1-16(2)14-20-15-17-6-8-18(9-7-17)21-19(23)10-13-22-11-4-3-5-12-22/h6-9,16,20H,3-5,10-15H2,1-2H3,(H,21,23)
InChIKeyBFFKQVOCCIFYCH-UHFFFAOYSA-N
XLogP3.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
CID 123274591
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 123945411
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
3-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 60854515

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide (CID 123461510) is N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide is CC(C)CNCc1ccc(NC(=O)CCN2CCCCC2)cc1.
What is the InChIKey of N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is BFFKQVOCCIFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-16(2)14-20-15-17-6-8-18(9-7-17)21-19(23)10-13-22-11-4-3-5-12-22/h6-9,16,20H,3-5,10-15H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 317.48 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 123461510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).