N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide

C18H24N4O2 — CID 72904530

IUPACN-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCN(CC3CC3)C(CCO)C2)c1
InChIInChI=1S/C18H24N4O2/c19-11-15-2-1-3-16(10-15)20-18(24)22-8-7-21(12-14-4-5-14)17(13-22)6-9-23/h1-3,10,14,17,23H,4-9,12-13H2,(H,20,24)
InChIKeyCWMAVERDCDGRDN-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.87
Rot. Bonds5

About N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide

N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 72904530) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID72904530
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(NC(=O)N2CCN(CC3CC3)C(CCO)C2)c1
InChIInChI=1S/C18H24N4O2/c19-11-15-2-1-3-16(10-15)20-18(24)22-8-7-21(12-14-4-5-14)17(13-22)6-9-23/h1-3,10,14,17,23H,4-9,12-13H2,(H,20,24)
InChIKeyCWMAVERDCDGRDN-UHFFFAOYSA-N
XLogP1.87
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-4-(cyclopropylmethyl)-N-(4-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97444820
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
4-benzyl-N-(3-cyanophenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509675
N-(3-cyanophenyl)-5-hydroxy-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 123772009
N-(3-cyanophenyl)-4-(dimethylamino)azepane-1-carboxamide
CID 56900491
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
1-(3-cyanophenyl)-3-(cyclopropylmethyl)urea
CID 47195799
(3R)-N-(3-carbamoylphenyl)-4-(furan-2-ylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide
CID 97435879
N-(3-cyanophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684715

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide (CID 72904530) is N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is N#Cc1cccc(NC(=O)N2CCN(CC3CC3)C(CCO)C2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is CWMAVERDCDGRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-11-15-2-1-3-16(10-15)20-18(24)22-8-7-21(12-14-4-5-14)17(13-22)6-9-23/h1-3,10,14,17,23H,4-9,12-13H2,(H,20,24).
What are the key properties of N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide?
N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 72904530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).