(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide

C17H33N3O — CID 125447972

IUPAC(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCCC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1
InChIInChI=1S/C17H33N3O/c1-4-17(8-5-9-17)14-18-16(21)7-6-15(2)20-12-10-19(3)11-13-20/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyAFGXHHRDRVLRTM-HNNXBMFYSA-N
MW295.47 g/mol
LogP2.10
Rot. Bonds7

About (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide

(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 125447972) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound Name(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
PubChem CID125447972
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
SMILESCCC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1
InChIInChI=1S/C17H33N3O/c1-4-17(8-5-9-17)14-18-16(21)7-6-15(2)20-12-10-19(3)11-13-20/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyAFGXHHRDRVLRTM-HNNXBMFYSA-N
XLogP2.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide (CID 125447972) is (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide is CCC1(CNC(=O)CC[C@H](C)N2CCN(C)CC2)CCC1.
What is the InChIKey of (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is AFGXHHRDRVLRTM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-17(8-5-9-17)14-18-16(21)7-6-15(2)20-12-10-19(3)11-13-20/h15H,4-14H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide?
(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 295.47 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 125447972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).