4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide

C19H30N4O2 — CID 72920810

IUPAC4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C19H30N4O2/c24-15-14-21-10-12-23(13-11-21)19(25)20-18-7-3-2-6-17(18)16-22-8-4-1-5-9-22/h2-3,6-7,24H,1,4-5,8-16H2,(H,20,25)
InChIKeyLMTLQJFDSNUHDH-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.81
Rot. Bonds5

About 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide (PubChem CID 72920810) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
PubChem CID72920810
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1CN1CCCCC1)N1CCN(CCO)CC1
InChIInChI=1S/C19H30N4O2/c24-15-14-21-10-12-23(13-11-21)19(25)20-18-7-3-2-6-17(18)16-22-8-4-1-5-9-22/h2-3,6-7,24H,1,4-5,8-16H2,(H,20,25)
InChIKeyLMTLQJFDSNUHDH-UHFFFAOYSA-N
XLogP1.81
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,6aS)-2-methyl-1,3-dioxo-N-[2-(piperidin-1-ylmethyl)phenyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 72854718
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 107223479
N-[2-(pyrrolidin-1-ylmethyl)phenyl]imidazole-1-carboxamide
CID 81257336
N-(2-bromophenyl)-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 17217595
N-(2-chlorophenyl)-4-[(2,3-dibromophenyl)methyl]piperazine-1-carboxamide
CID 141151957
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
(2S)-N-[2-(piperidin-1-ylmethyl)phenyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 97278774
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide (CID 72920810) is 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1CN1CCCCC1)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is LMTLQJFDSNUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c24-15-14-21-10-12-23(13-11-21)19(25)20-18-7-3-2-6-17(18)16-22-8-4-1-5-9-22/h2-3,6-7,24H,1,4-5,8-16H2,(H,20,25).
What are the key properties of 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 72920810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).