N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide

C20H30N2O2 — CID 86853824

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
SMILESCC(OCC1CC1)C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-16(24-15-18-10-11-18)20(23)21-13-19-9-5-6-12-22(19)14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,21,23)
InChIKeyLOWMUNRHZPFNPN-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.97
Rot. Bonds8

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

N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide (PubChem CID 86853824) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
PubChem CID86853824
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide
SMILESCC(OCC1CC1)C(=O)NCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H30N2O2/c1-16(24-15-18-10-11-18)20(23)21-13-19-9-5-6-12-22(19)14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,21,23)
InChIKeyLOWMUNRHZPFNPN-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-2-yl)methyl]-2-ethylbutanamide
CID 60595063
(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
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
1-[(1-benzylpiperidin-2-yl)methyl]-2-methyl-3-propan-2-ylguanidine
CID 111127376
3-amino-N-[(1-benzylpyrrolidin-2-yl)methyl]butanamide
CID 119888709
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
5-amino-N-[(1-benzylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120645194
1-[(1-benzylpiperidin-2-yl)methyl]-2,3-dimethylguanidine
CID 110920426
N'-(4-acetamidophenyl)-N-[(1-benzylpyrrolidin-2-yl)methyl]oxamide
CID 166207297

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide (CID 86853824) is N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide is CC(OCC1CC1)C(=O)NCC1CCCCN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide?
The InChIKey is LOWMUNRHZPFNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(24-15-18-10-11-18)20(23)21-13-19-9-5-6-12-22(19)14-17-7-3-2-4-8-17/h2-4,7-8,16,18-19H,5-6,9-15H2,1H3,(H,21,23).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide?
N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide has a molecular weight of 330.47 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-2-(cyclopropylmethoxy)propanamide is sourced from PubChem (CID 86853824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).