N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

C18H34N2O2 — CID 136518771

IUPACN-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-4-18(14-21)9-11-20(12-10-18)16(22)19-13-15-5-7-17(2,3)8-6-15/h15,21H,4-14H2,1-3H3,(H,19,22)
InChIKeySJQWWPZANZHKPF-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.40
Rot. Bonds4

About N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide

N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 136518771) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID136518771
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC NameN-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCC2CCC(C)(C)CC2)CC1
InChIInChI=1S/C18H34N2O2/c1-4-18(14-21)9-11-20(12-10-18)16(22)19-13-15-5-7-17(2,3)8-6-15/h15,21H,4-14H2,1-3H3,(H,19,22)
InChIKeySJQWWPZANZHKPF-UHFFFAOYSA-N
XLogP3.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide (CID 136518771) is N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)NCC2CCC(C)(C)CC2)CC1.
What is the InChIKey of N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is SJQWWPZANZHKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-4-18(14-21)9-11-20(12-10-18)16(22)19-13-15-5-7-17(2,3)8-6-15/h15,21H,4-14H2,1-3H3,(H,19,22).
What are the key properties of N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 310.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-dimethylcyclohexyl)methyl]-4-ethyl-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 136518771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).