N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide

C21H32N2O2 — CID 119747376

IUPACN-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(Cc1ccccc1)CC1CCCO1)C1CCNCC1
InChIInChI=1S/C21H32N2O2/c1-17(19-9-11-22-12-10-19)14-21(24)23(16-20-8-5-13-25-20)15-18-6-3-2-4-7-18/h2-4,6-7,17,19-20,22H,5,8-16H2,1H3
InChIKeyTXFRTZFVFPGSTJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.22
Rot. Bonds7

About N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide

N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide (PubChem CID 119747376) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
PubChem CID119747376
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)N(Cc1ccccc1)CC1CCCO1)C1CCNCC1
InChIInChI=1S/C21H32N2O2/c1-17(19-9-11-22-12-10-19)14-21(24)23(16-20-8-5-13-25-20)15-18-6-3-2-4-7-18/h2-4,6-7,17,19-20,22H,5,8-16H2,1H3
InChIKeyTXFRTZFVFPGSTJ-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119805871
N-(2-amino-2-oxoethyl)-N-benzyl-3-piperidin-4-ylbutanamide
CID 119783037
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
(3R)-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 9153527
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729700
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
4-[3-[benzyl(oxolan-2-ylmethyl)amino]-3-oxopropyl]benzoic acid
CID 119182305
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide (CID 119747376) is N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)N(Cc1ccccc1)CC1CCCO1)C1CCNCC1.
What is the InChIKey of N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide?
The InChIKey is TXFRTZFVFPGSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-17(19-9-11-22-12-10-19)14-21(24)23(16-20-8-5-13-25-20)15-18-6-3-2-4-7-18/h2-4,6-7,17,19-20,22H,5,8-16H2,1H3.
What are the key properties of N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide?
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119747376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).