4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

C20H32N4O2 — CID 122570435

IUPAC4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1
InChIInChI=1S/C20H32N4O2/c1-17(18-5-3-2-4-6-18)21-20(26)24-9-7-19(8-10-24)23-13-11-22(12-14-23)15-16-25/h2-6,17,19,25H,7-16H2,1H3,(H,21,26)/t17-/m0/s1
InChIKeyTWWVWWNJQDIYMX-KRWDZBQOSA-N
MW360.50 g/mol
LogP1.53
Rot. Bonds5

About 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 122570435) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID122570435
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1
InChIInChI=1S/C20H32N4O2/c1-17(18-5-3-2-4-6-18)21-20(26)24-9-7-19(8-10-24)23-13-11-22(12-14-23)15-16-25/h2-6,17,19,25H,7-16H2,1H3,(H,21,26)/t17-/m0/s1
InChIKeyTWWVWWNJQDIYMX-KRWDZBQOSA-N
XLogP1.53
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
2-[4-[1-(2,2-diphenylethyl)piperidin-4-yl]piperazin-1-yl]ethanol
CID 131937979
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[(1S)-1-phenylethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 122568655
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
CID 119062734
N-[(1S)-1-phenylethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 102420042
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928
2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidin-1-yl]-2-(3-methylphenyl)acetic acid
CID 166622015
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
N-[(2,3-dimethylphenyl)methyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid
CID 154906520

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide (CID 122570435) is 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1.
What is the InChIKey of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is TWWVWWNJQDIYMX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-17(18-5-3-2-4-6-18)21-20(26)24-9-7-19(8-10-24)23-13-11-22(12-14-23)15-16-25/h2-6,17,19,25H,7-16H2,1H3,(H,21,26)/t17-/m0/s1.
What are the key properties of 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 122570435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).