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

C21H34N4O2 — CID 154736862

IUPACN-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCN(CC2CCN(C(=O)NCCCc3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-23-13-15-24(16-14-23)17-19-8-11-25(12-9-19)21(27)22-10-2-3-18-4-6-20(26)7-5-18/h4-7,19,26H,2-3,8-17H2,1H3,(H,22,27)
InChIKeyKZDKLQXSKUTGQF-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.99
Rot. Bonds6

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

N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 154736862) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID154736862
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCN(CC2CCN(C(=O)NCCCc3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-23-13-15-24(16-14-23)17-19-8-11-25(12-9-19)21(27)22-10-2-3-18-4-6-20(26)7-5-18/h4-7,19,26H,2-3,8-17H2,1H3,(H,22,27)
InChIKeyKZDKLQXSKUTGQF-UHFFFAOYSA-N
XLogP1.99
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.99
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

4-(cyclohexylmethyl)-N-[3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxamide
CID 86973304
N-[3-(4-hydroxyphenyl)propyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230046
N-methyl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 162766916
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 69241812
4-(azepan-1-ylmethyl)-N-[4-(4-ethylpiperazin-1-yl)butyl]piperidine-1-carboxamide
CID 55807400
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 154736862) is N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is CN1CCN(CC2CCN(C(=O)NCCCc3ccc(O)cc3)CC2)CC1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is KZDKLQXSKUTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-23-13-15-24(16-14-23)17-19-8-11-25(12-9-19)21(27)22-10-2-3-18-4-6-20(26)7-5-18/h4-7,19,26H,2-3,8-17H2,1H3,(H,22,27).
What are the key properties of N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154736862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).