(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

C24H32N4O — CID 57456630

IUPAC(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1
InChIInChI=1S/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/m0/s1
InChIKeyCLTAQMJYOUARDB-QHCPKHFHSA-N
MW392.55 g/mol
LogP3.13
Rot. Bonds7

About (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide

(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 57456630) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID57456630
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESO=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1
InChIInChI=1S/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/m0/s1
InChIKeyCLTAQMJYOUARDB-QHCPKHFHSA-N
XLogP3.13
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
CID 15984937
Carpipramine
CID 2580
1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
6-(4-([1,1'-biphenyl]-2-yl)piperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643664
4-(1,1'-Biphenyl)-2-yl-N-((4-cyanophenyl)methyl)-1-piperazinehexanamide
CID 25107716
(4S)-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 137526050
6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643870
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
6-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11785183
(3r)-N-[3-(3,4-Dihydroquinolin-1(2h)-Yl)propyl]-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoxaline-5-Carboxamide
CID 60149330
1-(3-(4-phenylpiperazin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one
CID 14925759
N-(1-phenyl-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 137637884

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 57456630) is (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is O=C(NCCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2ccccc2N1.
What is the InChIKey of (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is CLTAQMJYOUARDB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(23-13-12-20-8-4-5-11-22(20)26-23)25-14-6-7-15-27-16-18-28(19-17-27)21-9-2-1-3-10-21/h1-5,8-11,23,26H,6-7,12-19H2,(H,25,29)/t23-/m0/s1.
What are the key properties of (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide?
(2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(4-phenylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 57456630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).