4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

C23H41N5O3 — CID 25280827

IUPAC4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H41N5O3/c1-4-25-15-17-26(18-16-25)21(29)6-5-19-7-11-27(12-8-19)22(30)20-9-13-28(14-10-20)23(31)24(2)3/h19-20H,4-18H2,1-3H3
InChIKeyPQKFGXITTBNIEO-UHFFFAOYSA-N
MW435.61 g/mol
LogP1.56
Rot. Bonds5

About 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 25280827) has the molecular formula C23H41N5O3 and a molecular weight of 435.61 g/mol. Its IUPAC name is 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID25280827
Molecular FormulaC23H41N5O3
Molecular Weight435.61 g/mol
Exact Mass435.32
IUPAC Name4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H41N5O3/c1-4-25-15-17-26(18-16-25)21(29)6-5-19-7-11-27(12-8-19)22(30)20-9-13-28(14-10-20)23(31)24(2)3/h19-20H,4-18H2,1-3H3
InChIKeyPQKFGXITTBNIEO-UHFFFAOYSA-N
XLogP1.56
TPSA67.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (CID 25280827) is 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is CCN1CCN(C(=O)CCC2CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PQKFGXITTBNIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5O3/c1-4-25-15-17-26(18-16-25)21(29)6-5-19-7-11-27(12-8-19)22(30)20-9-13-28(14-10-20)23(31)24(2)3/h19-20H,4-18H2,1-3H3.
What are the key properties of 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 435.61 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 25280827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).