2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide

C19H28N2O3 — CID 111433871

IUPAC2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCC(O)CC1)c1ccccc1OCC1CC1
InChIInChI=1S/C19H28N2O3/c22-16-8-12-21(13-9-16)11-3-10-20-19(23)17-4-1-2-5-18(17)24-14-15-6-7-15/h1-2,4-5,15-16,22H,3,6-14H2,(H,20,23)
InChIKeyOKRZXHOHPGZXSB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.05
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide

2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide (PubChem CID 111433871) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
PubChem CID111433871
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCC(O)CC1)c1ccccc1OCC1CC1
InChIInChI=1S/C19H28N2O3/c22-16-8-12-21(13-9-16)11-3-10-20-19(23)17-4-1-2-5-18(17)24-14-15-6-7-15/h1-2,4-5,15-16,22H,3,6-14H2,(H,20,23)
InChIKeyOKRZXHOHPGZXSB-UHFFFAOYSA-N
XLogP2.05
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
4-chloro-2-ethoxy-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 110007287
2-ethoxy-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224182
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111539069
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(2-methoxyethoxy)benzamide
CID 55997633
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2,3-dimethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416174
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide (CID 111433871) is 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide is O=C(NCCCN1CCC(O)CC1)c1ccccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
The InChIKey is OKRZXHOHPGZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-16-8-12-21(13-9-16)11-3-10-20-19(23)17-4-1-2-5-18(17)24-14-15-6-7-15/h1-2,4-5,15-16,22H,3,6-14H2,(H,20,23).
What are the key properties of 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide?
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 111433871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).