N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide

C12H25N3O — CID 115189074

IUPACN,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
SMILESCCCN(C)C(=O)C(C)CN1CCNCC1
InChIInChI=1S/C12H25N3O/c1-4-7-14(3)12(16)11(2)10-15-8-5-13-6-9-15/h11,13H,4-10H2,1-3H3
InChIKeyVIRSRFUMPRRCJI-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.40
Rot. Bonds5

About N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide

N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide (PubChem CID 115189074) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
PubChem CID115189074
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide
SMILESCCCN(C)C(=O)C(C)CN1CCNCC1
InChIInChI=1S/C12H25N3O/c1-4-7-14(3)12(16)11(2)10-15-8-5-13-6-9-15/h11,13H,4-10H2,1-3H3
InChIKeyVIRSRFUMPRRCJI-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
2-(2-methyl-3-piperazin-1-ylpropanoyl)oxyethyl 2-methyl-3-piperazin-1-ylpropanoate
CID 142196227
2-methyl-1,3-di(piperazin-1-yl)propan-1-one
CID 82511421
N,2,2-trimethyl-3-piperazin-1-yl-N-propylpropanamide
CID 115189037
N-butyl-N-methyl-2-piperazin-1-ylpropanamide
CID 43130649
N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115189078
1-cyclopentyl-2-methyl-3-piperazin-1-ylpropan-1-one
CID 116924032
2-piperazin-1-yl-N-propan-2-yl-N-propylacetamide
CID 43269882
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
ethane;2-(ethylamino)-1-piperazin-1-ylpentan-3-one
CID 177156065
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide?
The IUPAC name of N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide (CID 115189074) is N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide.
What is the SMILES notation for N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide?
The canonical SMILES for N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide is CCCN(C)C(=O)C(C)CN1CCNCC1.
What is the InChIKey of N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide?
The InChIKey is VIRSRFUMPRRCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-7-14(3)12(16)11(2)10-15-8-5-13-6-9-15/h11,13H,4-10H2,1-3H3.
What are the key properties of N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide?
N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-piperazin-1-yl-N-propylpropanamide is sourced from PubChem (CID 115189074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).