N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide

C18H29N3O — CID 122080277

IUPACN-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCCNCc1ccccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H29N3O/c1-3-19-13-16-6-4-5-7-17(16)21-18(22)12-14(2)15-8-10-20-11-9-15/h4-7,14-15,19-20H,3,8-13H2,1-2H3,(H,21,22)
InChIKeyRHYRERONHPVCSU-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide

N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 122080277) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID122080277
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCCNCc1ccccc1NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C18H29N3O/c1-3-19-13-16-6-4-5-7-17(16)21-18(22)12-14(2)15-8-10-20-11-9-15/h4-7,14-15,19-20H,3,8-13H2,1-2H3,(H,21,22)
InChIKeyRHYRERONHPVCSU-UHFFFAOYSA-N
XLogP2.76
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752264
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
3-piperidin-4-yl-N-[2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119700416
2-(3-piperidin-4-ylbutanoylamino)-N-prop-2-enylbenzamide
CID 119684683
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119814484
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119717975
N-[2-(ethylaminomethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 119440769

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide (CID 122080277) is N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide is CCNCc1ccccc1NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is RHYRERONHPVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-19-13-16-6-4-5-7-17(16)21-18(22)12-14(2)15-8-10-20-11-9-15/h4-7,14-15,19-20H,3,8-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide?
N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 122080277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).