N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide

C18H34N2O — CID 79702518

IUPACN-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
SMILESCCCN(CC1CCNCC1)C(=O)C1CCCCCCC1
InChIInChI=1S/C18H34N2O/c1-2-14-20(15-16-10-12-19-13-11-16)18(21)17-8-6-4-3-5-7-9-17/h16-17,19H,2-15H2,1H3
InChIKeyJXVUQBOIQNVHDH-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.59
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide

N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide (PubChem CID 79702518) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
PubChem CID79702518
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC NameN-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide
SMILESCCCN(CC1CCNCC1)C(=O)C1CCCCCCC1
InChIInChI=1S/C18H34N2O/c1-2-14-20(15-16-10-12-19-13-11-16)18(21)17-8-6-4-3-5-7-9-17/h16-17,19H,2-15H2,1H3
InChIKeyJXVUQBOIQNVHDH-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-N-propylpiperidine-3-carboxamide
CID 119302238
N,N-dipropylpiperidine-4-carboxamide;hydrochloride
CID 53410679
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
N-(piperidin-2-ylmethyl)-N-propylcyclooctanecarboxamide
CID 106625676
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
2,2-dimethyl-N-(piperidin-4-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 107180947
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
N-(cyclopropylmethyl)-N-propylazepane-2-carboxamide
CID 64564571
5-oxo-N-(piperidin-4-ylmethyl)-N-propylpyrrolidine-2-carboxamide
CID 79721070
N-(piperidin-4-ylmethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 79721373
2-ethyl-N-(piperidin-4-ylmethyl)-N-propylbutanamide
CID 79721437
N-(2-chloroethyl)-N-propylcyclohexanecarboxamide
CID 63393390

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide (CID 79702518) is N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide is CCCN(CC1CCNCC1)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide?
The InChIKey is JXVUQBOIQNVHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-2-14-20(15-16-10-12-19-13-11-16)18(21)17-8-6-4-3-5-7-9-17/h16-17,19H,2-15H2,1H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide?
N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide has a molecular weight of 294.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-propylcyclooctanecarboxamide is sourced from PubChem (CID 79702518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).