N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C18H35ClN2O — CID 119741883

IUPACN-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1CCCCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-15(17-9-11-19-12-10-17)13-18(21)20-14-16-7-5-3-2-4-6-8-16;/h15-17,19H,2-14H2,1H3,(H,20,21);1H
InChIKeyYZGZPNHMBBLRKA-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.91
Rot. Bonds5

About N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119741883) has the molecular formula C18H35ClN2O and a molecular weight of 330.94 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119741883
Molecular FormulaC18H35ClN2O
Molecular Weight330.94 g/mol
Exact Mass330.24
IUPAC NameN-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCC1CCCCCCC1)C1CCNCC1.Cl
InChIInChI=1S/C18H34N2O.ClH/c1-15(17-9-11-19-12-10-17)13-18(21)20-14-16-7-5-3-2-4-6-8-16;/h15-17,19H,2-14H2,1H3,(H,20,21);1H
InChIKeyYZGZPNHMBBLRKA-UHFFFAOYSA-N
XLogP3.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885145
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
3-piperidin-4-yl-N-(2-piperidin-3-ylethyl)butanamide
CID 122080536
N-(2,3-dimethylbutyl)-3-piperidin-4-ylbutanamide
CID 119796514
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide
CID 119675581

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119741883) is N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCC1CCCCCCC1)C1CCNCC1.Cl.
What is the InChIKey of N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is YZGZPNHMBBLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O.ClH/c1-15(17-9-11-19-12-10-17)13-18(21)20-14-16-7-5-3-2-4-6-8-16;/h15-17,19H,2-14H2,1H3,(H,20,21);1H.
What are the key properties of N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 330.94 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119741883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).