N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide

C15H30N4O2 — CID 119837474

IUPACN,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCCNC)CC1
InChIInChI=1S/C15H30N4O2/c1-4-18(5-2)15(21)13-17-9-11-19(12-10-17)14(20)7-6-8-16-3/h16H,4-13H2,1-3H3
InChIKeyCCCPATWBYDHATA-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.00
Rot. Bonds8

About N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide (PubChem CID 119837474) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
PubChem CID119837474
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCCNC)CC1
InChIInChI=1S/C15H30N4O2/c1-4-18(5-2)15(21)13-17-9-11-19(12-10-17)14(20)7-6-8-16-3/h16H,4-13H2,1-3H3
InChIKeyCCCPATWBYDHATA-UHFFFAOYSA-N
XLogP-0.00
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119837473
tert-butyl N-[4-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-4-oxobutyl]carbamate
CID 55447166
2-[4-(6-acetamidohexanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55603367
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
2-[4-(4-aminopentanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 120564514
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43397406
5-(methylamino)-1-piperazin-1-ylpentan-1-one
CID 154943058
2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55668049
3-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43397033

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide (CID 119837474) is N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)CCCNC)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide?
The InChIKey is CCCPATWBYDHATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-4-18(5-2)15(21)13-17-9-11-19(12-10-17)14(20)7-6-8-16-3/h16H,4-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide has a molecular weight of 298.43 g/mol, XLogP of -0.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 119837474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).