N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide

C19H30N2O — CID 60595063

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-17(4-2)19(22)20-14-18-12-8-9-13-21(18)15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,20,22)
InChIKeyBDPZTNZQTDPEMD-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.59
Rot. Bonds7

About N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide

N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide (PubChem CID 60595063) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
PubChem CID60595063
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C19H30N2O/c1-3-17(4-2)19(22)20-14-18-12-8-9-13-21(18)15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,20,22)
InChIKeyBDPZTNZQTDPEMD-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-2-(diethylamino)butanamide
CID 96504371
(2S)-2-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide;dihydrochloride
CID 119888694
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
CID 86853824
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
methyl 3-[(1-benzylpiperidin-2-yl)methylcarbamoyl]benzoate
CID 60595175
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
CID 110920426
1-[(1-benzylpiperidin-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122513

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide (CID 60595063) is N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC1CCCCN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide?
The InChIKey is BDPZTNZQTDPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-17(4-2)19(22)20-14-18-12-8-9-13-21(18)15-16-10-6-5-7-11-16/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide?
N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide has a molecular weight of 302.46 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide is sourced from PubChem (CID 60595063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).