N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide

C19H31N3O — CID 119883178

IUPACN-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(N(C)C(C)C)c1)C1CCNCC1
InChIInChI=1S/C19H31N3O/c1-14(2)22(4)18-7-5-6-17(13-18)21-19(23)12-15(3)16-8-10-20-11-9-16/h5-7,13-16,20H,8-12H2,1-4H3,(H,21,23)
InChIKeyWSRWMPBLOXIPDW-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.50
Rot. Bonds6

About N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide

N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119883178) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119883178
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(N(C)C(C)C)c1)C1CCNCC1
InChIInChI=1S/C19H31N3O/c1-14(2)22(4)18-7-5-6-17(13-18)21-19(23)12-15(3)16-8-10-20-11-9-16/h5-7,13-16,20H,8-12H2,1-4H3,(H,21,23)
InChIKeyWSRWMPBLOXIPDW-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide (CID 119883178) is N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1cccc(N(C)C(C)C)c1)C1CCNCC1.
What is the InChIKey of N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is WSRWMPBLOXIPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14(2)22(4)18-7-5-6-17(13-18)21-19(23)12-15(3)16-8-10-20-11-9-16/h5-7,13-16,20H,8-12H2,1-4H3,(H,21,23).
What are the key properties of N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide?
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 317.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119883178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).