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'}

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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).