4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide

C19H34N2O2 — CID 99813960

IUPAC4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide
SMILESC[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(OCC2CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-14-12-19(2,3)9-6-17(14)20-18(22)21-10-7-16(8-11-21)23-13-15-4-5-15/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyHUBYIENWHRNAPS-YOEHRIQHSA-N
MW322.49 g/mol
LogP3.80
Rot. Bonds4

About 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide

4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide (PubChem CID 99813960) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide
PubChem CID99813960
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide
SMILESC[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(OCC2CC2)CC1
InChIInChI=1S/C19H34N2O2/c1-14-12-19(2,3)9-6-17(14)20-18(22)21-10-7-16(8-11-21)23-13-15-4-5-15/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyHUBYIENWHRNAPS-YOEHRIQHSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide (CID 99813960) is 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide is C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)N1CCC(OCC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide?
The InChIKey is HUBYIENWHRNAPS-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-14-12-19(2,3)9-6-17(14)20-18(22)21-10-7-16(8-11-21)23-13-15-4-5-15/h14-17H,4-13H2,1-3H3,(H,20,22)/t14-,17-/m0/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide?
4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(1S,2S)-2,4,4-trimethylcyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 99813960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).