2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H30N4O2 — CID 110884154

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C19H30N4O2/c1-16(22-12-10-21(11-13-22)14-15-24)19(25)20-17-4-6-18(7-5-17)23-8-2-3-9-23/h4-7,16,24H,2-3,8-15H2,1H3,(H,20,25)
InChIKeyWCCITKGEWZGIQZ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.22
Rot. Bonds6

About 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 110884154) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID110884154
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(N2CCCC2)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C19H30N4O2/c1-16(22-12-10-21(11-13-22)14-15-24)19(25)20-17-4-6-18(7-5-17)23-8-2-3-9-23/h4-7,16,24H,2-3,8-15H2,1H3,(H,20,25)
InChIKeyWCCITKGEWZGIQZ-UHFFFAOYSA-N
XLogP1.22
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110884148
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 110884154) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(C(=O)Nc1ccc(N2CCCC2)cc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is WCCITKGEWZGIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16(22-12-10-21(11-13-22)14-15-24)19(25)20-17-4-6-18(7-5-17)23-8-2-3-9-23/h4-7,16,24H,2-3,8-15H2,1H3,(H,20,25).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 346.48 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 2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110884154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).