N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C23H36N4O3 — CID 60554234

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C23H36N4O3/c1-25-14-16-26(17-15-25)12-6-11-24-23(29)20-7-5-13-27(19-20)22(28)10-18-30-21-8-3-2-4-9-21/h2-4,8-9,20H,5-7,10-19H2,1H3,(H,24,29)
InChIKeyZGJNSHPIGBTJKJ-UHFFFAOYSA-N
MW416.57 g/mol
LogP1.45
Rot. Bonds9

About N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 60554234) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID60554234
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCN1CCN(CCCNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1
InChIInChI=1S/C23H36N4O3/c1-25-14-16-26(17-15-25)12-6-11-24-23(29)20-7-5-13-27(19-20)22(28)10-18-30-21-8-3-2-4-9-21/h2-4,8-9,20H,5-7,10-19H2,1H3,(H,24,29)
InChIKeyZGJNSHPIGBTJKJ-UHFFFAOYSA-N
XLogP1.45
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993927
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-(3-phenoxypropanoyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55965390
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
1-(3-phenoxypropanoyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119558659
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965005
1-[3-(3-bromophenoxy)propanoyl]-N-propylpiperidine-3-carboxamide
CID 49402998
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 60554234) is N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CN1CCN(CCCNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is ZGJNSHPIGBTJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-25-14-16-26(17-15-25)12-6-11-24-23(29)20-7-5-13-27(19-20)22(28)10-18-30-21-8-3-2-4-9-21/h2-4,8-9,20H,5-7,10-19H2,1H3,(H,24,29).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60554234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).