N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

C19H27N3O2 — CID 111509057

IUPACN-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCc2cccc(N3CC=CC3)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-15(23)17-7-11-22(12-8-17)19(24)20-14-16-5-4-6-18(13-16)21-9-2-3-10-21/h2-6,13,15,17,23H,7-12,14H2,1H3,(H,20,24)
InChIKeyCGUCBSVYMBSSFM-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.37
Rot. Bonds4

About N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111509057) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111509057
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCc2cccc(N3CC=CC3)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-15(23)17-7-11-22(12-8-17)19(24)20-14-16-5-4-6-18(13-16)21-9-2-3-10-21/h2-6,13,15,17,23H,7-12,14H2,1H3,(H,20,24)
InChIKeyCGUCBSVYMBSSFM-UHFFFAOYSA-N
XLogP2.37
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 98203018
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788732
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-4-ethylazepane-1-carboxamide
CID 126778746
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110896394
N-[(2,5-dimethylfuran-3-yl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438818
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203
N-[(3-cyclopentyloxyphenyl)methyl]-3-(1-hydroxyethyl)piperidine-1-carboxamide
CID 84591482
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111509057) is N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)NCc2cccc(N3CC=CC3)c2)CC1.
What is the InChIKey of N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is CGUCBSVYMBSSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(23)17-7-11-22(12-8-17)19(24)20-14-16-5-4-6-18(13-16)21-9-2-3-10-21/h2-6,13,15,17,23H,7-12,14H2,1H3,(H,20,24).
What are the key properties of N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111509057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).