N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

C20H30F2N4O — CID 126446250

IUPACN-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H30F2N4O/c1-15(17-11-18(21)13-19(22)12-17)23-20(27)26-5-3-16(4-6-26)14-25-9-7-24(2)8-10-25/h11-13,15-16H,3-10,14H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyDDICVIRFVBZUJR-OAHLLOKOSA-N
MW380.48 g/mol
LogP2.69
Rot. Bonds4

About N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 126446250) has the molecular formula C20H30F2N4O and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID126446250
Molecular FormulaC20H30F2N4O
Molecular Weight380.48 g/mol
Exact Mass380.24
IUPAC NameN-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H30F2N4O/c1-15(17-11-18(21)13-19(22)12-17)23-20(27)26-5-3-16(4-6-26)14-25-9-7-24(2)8-10-25/h11-13,15-16H,3-10,14H2,1-2H3,(H,23,27)/t15-/m1/s1
InChIKeyDDICVIRFVBZUJR-OAHLLOKOSA-N
XLogP2.69
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
2-[4-(cyclohexylmethyl)piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 86825537
N-butan-2-yl-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 110624587
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615955
4-(2,2-difluoroethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine-1-carboxamide
CID 49121709
N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 154736862
4-(hydroxymethyl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896259

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 126446250) is N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(CN2CCN(C)CC2)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is DDICVIRFVBZUJR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30F2N4O/c1-15(17-11-18(21)13-19(22)12-17)23-20(27)26-5-3-16(4-6-26)14-25-9-7-24(2)8-10-25/h11-13,15-16H,3-10,14H2,1-2H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluorophenyl)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126446250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).