N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C16H29F2N3O — CID 69469604

IUPACN-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCC(F)(F)CC1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H29F2N3O/c1-19-12-14(11-13-5-7-16(17,18)8-6-13)20-15(22)21-9-3-2-4-10-21/h13-14,19H,2-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyLXAUHZNUKDWDRN-AWEZNQCLSA-N
MW317.42 g/mol
LogP2.99
Rot. Bonds5

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

N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 69469604) has the molecular formula C16H29F2N3O and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
PubChem CID69469604
Molecular FormulaC16H29F2N3O
Molecular Weight317.42 g/mol
Exact Mass317.23
IUPAC NameN-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
SMILESCNC[C@H](CC1CCC(F)(F)CC1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H29F2N3O/c1-19-12-14(11-13-5-7-16(17,18)8-6-13)20-15(22)21-9-3-2-4-10-21/h13-14,19H,2-12H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyLXAUHZNUKDWDRN-AWEZNQCLSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

US20240262804, Example 14
CID 172430221
US20240262804, Example 15
CID 172430222
US20240262804, Example 16
CID 172430223
US20240262804, Example 18
CID 172430224
US20240262804, Example 52
CID 172430242
US20240262804, Example 55
CID 172430244
US20240262804, Example 66
CID 172430250
N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352
1-Methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 56827100
1-(2,3-Dimethylcyclohexyl)-3-[(1-ethylpiperidin-2-yl)methyl]urea
CID 102556957
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 69469604) is N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCC(F)(F)CC1)NC(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is LXAUHZNUKDWDRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H29F2N3O/c1-19-12-14(11-13-5-7-16(17,18)8-6-13)20-15(22)21-9-3-2-4-10-21/h13-14,19H,2-12H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?
N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 317.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 69469604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).