N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide

C22H35N5O2 — CID 7645074

IUPACN'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN([C@H](CNC(=O)C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H35N5O2/c1-25(2)19-10-8-17(9-11-19)20(27-14-12-26(3)13-15-27)16-23-21(28)22(29)24-18-6-4-5-7-18/h8-11,18,20H,4-7,12-16H2,1-3H3,(H,23,28)(H,24,29)/t20-/m1/s1
InChIKeyNHRJMFUEUBTSPA-HXUWFJFHSA-N
MW401.56 g/mol
LogP1.22
Rot. Bonds6

About N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide

N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide (PubChem CID 7645074) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
PubChem CID7645074
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC NameN'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
SMILESCN1CCN([C@H](CNC(=O)C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C22H35N5O2/c1-25(2)19-10-8-17(9-11-19)20(27-14-12-26(3)13-15-27)16-23-21(28)22(29)24-18-6-4-5-7-18/h8-11,18,20H,4-7,12-16H2,1-3H3,(H,23,28)(H,24,29)/t20-/m1/s1
InChIKeyNHRJMFUEUBTSPA-HXUWFJFHSA-N
XLogP1.22
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 41398309
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-propan-2-yloxamide
CID 18583688
N'-tert-butyl-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 7645376
N'-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N-ethyloxamide
CID 18583687
N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
N'-cyclohexyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932254
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-methylpropanamide
CID 7497230
N'-cycloheptyl-N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583526
N'-cycloheptyl-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 90581640
N'-cyclohexyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30576636
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 30642863

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide (CID 7645074) is N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide is CN1CCN([C@H](CNC(=O)C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
The InChIKey is NHRJMFUEUBTSPA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-25(2)19-10-8-17(9-11-19)20(27-14-12-26(3)13-15-27)16-23-21(28)22(29)24-18-6-4-5-7-18/h8-11,18,20H,4-7,12-16H2,1-3H3,(H,23,28)(H,24,29)/t20-/m1/s1.
What are the key properties of N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide?
N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide has a molecular weight of 401.56 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]oxamide is sourced from PubChem (CID 7645074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).