2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C17H33N3O2 — CID 69469330

IUPAC2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCC(OC)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O2/c1-19-12-14(11-13-6-8-15(22-2)9-7-13)16-5-3-4-10-20(16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13?,14-,15?,16?/m0/s1
InChIKeySWJGGJDUFMFMSG-KXVRIMHRSA-N
MW311.47 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69469330) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69469330
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCC(OC)CC1)C1CCCCN1C(N)=O
InChIInChI=1S/C17H33N3O2/c1-19-12-14(11-13-6-8-15(22-2)9-7-13)16-5-3-4-10-20(16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13?,14-,15?,16?/m0/s1
InChIKeySWJGGJDUFMFMSG-KXVRIMHRSA-N
XLogP2.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69469330) is 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCC(OC)CC1)C1CCCCN1C(N)=O.
What is the InChIKey of 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is SWJGGJDUFMFMSG-KXVRIMHRSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-19-12-14(11-13-6-8-15(22-2)9-7-13)16-5-3-4-10-20(16)17(18)21/h13-16,19H,3-12H2,1-2H3,(H2,18,21)/t13?,14-,15?,16?/m0/s1.
What are the key properties of 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-methoxycyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69469330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).