4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide

C17H29N3OS — CID 91764415

IUPAC4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
SMILESCc1ccc(CCNC(=O)CCC(C)N2CCN(C)CC2)s1
InChIInChI=1S/C17H29N3OS/c1-14(20-12-10-19(3)11-13-20)4-7-17(21)18-9-8-16-6-5-15(2)22-16/h5-6,14H,4,7-13H2,1-3H3,(H,18,21)
InChIKeyMDJTYEHSSFZMBX-UHFFFAOYSA-N
MW323.51 g/mol
LogP2.13
Rot. Bonds7

About 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide

4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide (PubChem CID 91764415) has the molecular formula C17H29N3OS and a molecular weight of 323.51 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
PubChem CID91764415
Molecular FormulaC17H29N3OS
Molecular Weight323.51 g/mol
Exact Mass323.20
IUPAC Name4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
SMILESCc1ccc(CCNC(=O)CCC(C)N2CCN(C)CC2)s1
InChIInChI=1S/C17H29N3OS/c1-14(20-12-10-19(3)11-13-20)4-7-17(21)18-9-8-16-6-5-15(2)22-16/h5-6,14H,4,7-13H2,1-3H3,(H,18,21)
InChIKeyMDJTYEHSSFZMBX-UHFFFAOYSA-N
XLogP2.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958
N-methyl-5-[[[(4R)-4-(4-methylpiperazin-1-yl)pentanoyl]amino]methyl]furan-2-carboxamide
CID 125163780
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91836065
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
(4R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-morpholin-4-ylpentanamide
CID 124752740
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide
CID 125443769
2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide
CID 125435468
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 118786717
N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
N-[3-(methylamino)propyl]-4-(5-methylthiophen-2-yl)butanamide;hydrochloride
CID 119433722
(4R)-4-pyrrolidin-1-yl-N-[3-(1,3-thiazol-2-yl)propyl]pentanamide
CID 126452069

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide (CID 91764415) is 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide is Cc1ccc(CCNC(=O)CCC(C)N2CCN(C)CC2)s1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide?
The InChIKey is MDJTYEHSSFZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OS/c1-14(20-12-10-19(3)11-13-20)4-7-17(21)18-9-8-16-6-5-15(2)22-16/h5-6,14H,4,7-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide?
4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide has a molecular weight of 323.51 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide is sourced from PubChem (CID 91764415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).