N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide

C15H24N4O2 — CID 61340159

IUPACN-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCC(N)c1cccc(NC(=O)N2CCN(CCO)CC2)c1
InChIInChI=1S/C15H24N4O2/c1-12(16)13-3-2-4-14(11-13)17-15(21)19-7-5-18(6-8-19)9-10-20/h2-4,11-12,20H,5-10,16H2,1H3,(H,17,21)
InChIKeyKTCVWEPOKFRVQJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.85
Rot. Bonds4

About N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 61340159) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID61340159
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESCC(N)c1cccc(NC(=O)N2CCN(CCO)CC2)c1
InChIInChI=1S/C15H24N4O2/c1-12(16)13-3-2-4-14(11-13)17-15(21)19-7-5-18(6-8-19)9-10-20/h2-4,11-12,20H,5-10,16H2,1H3,(H,17,21)
InChIKeyKTCVWEPOKFRVQJ-UHFFFAOYSA-N
XLogP0.85
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004
1-[3-(1-aminoethyl)phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 61339652
3-[3-(1-aminoethyl)phenyl]-1-(2-hydroxyethyl)-1-methylurea
CID 61341691
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
CID 173123175
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 61340159) is N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide is CC(N)c1cccc(NC(=O)N2CCN(CCO)CC2)c1.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is KTCVWEPOKFRVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(16)13-3-2-4-14(11-13)17-15(21)19-7-5-18(6-8-19)9-10-20/h2-4,11-12,20H,5-10,16H2,1H3,(H,17,21).
What are the key properties of N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 61340159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).