N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide

C16H32N4O — CID 80548187

IUPACN,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCN1CCC(CN(C)C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,20-11-7-17-8-12-20)15(21)19(4)13-14-5-9-18(3)10-6-14/h14,17H,5-13H2,1-4H3
InChIKeyJPLZVTPUGYAKNY-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.47
Rot. Bonds4

About N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide

N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide (PubChem CID 80548187) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
PubChem CID80548187
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
SMILESCN1CCC(CN(C)C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,20-11-7-17-8-12-20)15(21)19(4)13-14-5-9-18(3)10-6-14/h14,17H,5-13H2,1-4H3
InChIKeyJPLZVTPUGYAKNY-UHFFFAOYSA-N
XLogP0.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80549935
2-amino-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pentanamide
CID 63234440
2-(ethylamino)-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234481
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548281
2-cyano-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propylpentanamide
CID 63234286
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
2,2-dimethyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-oxobutanoic acid
CID 65300009
3-methyl-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 64701683
N-methyl-1-(1-methylpiperidin-4-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230110
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide?
The IUPAC name of N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide (CID 80548187) is N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide?
The canonical SMILES for N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide is CN1CCC(CN(C)C(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide?
The InChIKey is JPLZVTPUGYAKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-16(2,20-11-7-17-8-12-20)15(21)19(4)13-14-5-9-18(3)10-6-14/h14,17H,5-13H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide?
N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide has a molecular weight of 296.46 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).