N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide

C17H34N4O — CID 123846165

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide
SMILESCCCC1(C)CCN(C(=O)NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C17H34N4O/c1-5-6-17(2)7-9-21(10-8-17)16(22)18-13-15-14-19(3)11-12-20(15)4/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyUSEPEQUDJOYTSF-UHFFFAOYSA-N
MW310.49 g/mol
LogP1.84
Rot. Bonds4

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide (PubChem CID 123846165) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide
PubChem CID123846165
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide
SMILESCCCC1(C)CCN(C(=O)NCC2CN(C)CCN2C)CC1
InChIInChI=1S/C17H34N4O/c1-5-6-17(2)7-9-21(10-8-17)16(22)18-13-15-14-19(3)11-12-20(15)4/h15H,5-14H2,1-4H3,(H,18,22)
InChIKeyUSEPEQUDJOYTSF-UHFFFAOYSA-N
XLogP1.84
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Isopropyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 3234223
1,3-Bis(2,2,6,6-tetramethyl-4-piperidyl)urea
CID 118165
N-propan-2-yl-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 118738744
4-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 172435138
1-[[(2R,4S,5S)-5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389331
2-Ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 167731155
2-Methyl-2,4,9-triazaspiro[5.5]undecan-3-one
CID 177800747
1-[[(2R,4S,5S)-5-(diethylaminomethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389164
1-propan-2-yl-3-[[(2R,4S,5S)-5-(pyrrolidin-1-ylmethyl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea
CID 25389237
1-[[(2R,4S,5S)-5-[(4-methylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 44716393
1-Methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 56827100
3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 86768320

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide (CID 123846165) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide is CCCC1(C)CCN(C(=O)NCC2CN(C)CCN2C)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide?
The InChIKey is USEPEQUDJOYTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-5-6-17(2)7-9-21(10-8-17)16(22)18-13-15-14-19(3)11-12-20(15)4/h15H,5-14H2,1-4H3,(H,18,22).
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide has a molecular weight of 310.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methyl-4-propylpiperidine-1-carboxamide is sourced from PubChem (CID 123846165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).