N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide

C16H26N4O — CID 29008728

IUPACN-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
SMILESCN(CCCNC(=O)CN1CCNCC1)c1ccccc1
InChIInChI=1S/C16H26N4O/c1-19(15-6-3-2-4-7-15)11-5-8-18-16(21)14-20-12-9-17-10-13-20/h2-4,6-7,17H,5,8-14H2,1H3,(H,18,21)
InChIKeyQKPADPBZNLXMAC-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.53
Rot. Bonds7

About N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide

N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide (PubChem CID 29008728) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
PubChem CID29008728
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide
SMILESCN(CCCNC(=O)CN1CCNCC1)c1ccccc1
InChIInChI=1S/C16H26N4O/c1-19(15-6-3-2-4-7-15)11-5-8-18-16(21)14-20-12-9-17-10-13-20/h2-4,6-7,17H,5,8-14H2,1H3,(H,18,21)
InChIKeyQKPADPBZNLXMAC-UHFFFAOYSA-N
XLogP0.53
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 25344786
N-[3-(N-methylanilino)propyl]-2-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]acetamide
CID 30964057
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
N-[3-(N-methylanilino)propyl]-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504127
2-(4-aminopiperidin-1-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 79323412
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
N-[3-(N-methylanilino)propyl]-2-piperidin-3-ylacetamide
CID 62691049
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
N-butyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693948
2-tert-butylsulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 78814923
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
CID 43135762
N-[3-(N-methylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005380

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide (CID 29008728) is N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide is CN(CCCNC(=O)CN1CCNCC1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide?
The InChIKey is QKPADPBZNLXMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19(15-6-3-2-4-7-15)11-5-8-18-16(21)14-20-12-9-17-10-13-20/h2-4,6-7,17H,5,8-14H2,1H3,(H,18,21).
What are the key properties of N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide?
N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 0.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 29008728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).