N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide

C19H31N3O — CID 119887755

IUPACN-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)c(CN(C)C)c1
InChIInChI=1S/C19H31N3O/c1-14-5-6-18(17(11-14)13-22(3)4)21-19(23)12-15(2)16-7-9-20-10-8-16/h5-6,11,15-16,20H,7-10,12-13H2,1-4H3,(H,21,23)
InChIKeyHKIOFBPCGJXKDP-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.02
Rot. Bonds6

About N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide

N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119887755) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
PubChem CID119887755
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)c(CN(C)C)c1
InChIInChI=1S/C19H31N3O/c1-14-5-6-18(17(11-14)13-22(3)4)21-19(23)12-15(2)16-7-9-20-10-8-16/h5-6,11,15-16,20H,7-10,12-13H2,1-4H3,(H,21,23)
InChIKeyHKIOFBPCGJXKDP-UHFFFAOYSA-N
XLogP3.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-iodo-2-methylphenyl)-3-piperidin-4-ylbutanamide
CID 119672088
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 122080277
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
3-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119743545
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(4-bromo-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673449
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-propan-2-yloxypropanamide
CID 56790147

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide (CID 119887755) is N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide is Cc1ccc(NC(=O)CC(C)C2CCNCC2)c(CN(C)C)c1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is HKIOFBPCGJXKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-5-6-18(17(11-14)13-22(3)4)21-19(23)12-15(2)16-7-9-20-10-8-16/h5-6,11,15-16,20H,7-10,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide?
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 317.48 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119887755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).