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

C18H29N3O2 — CID 71850252

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NCCCN2CCC(O)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-14(2)20-16-6-3-5-15(13-16)18(23)19-9-4-10-21-11-7-17(22)8-12-21/h3,5-6,13-14,17,20,22H,4,7-12H2,1-2H3,(H,19,23)
InChIKeyHERYGFWSZGEAEI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.08
Rot. Bonds7

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

N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide (PubChem CID 71850252) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide
PubChem CID71850252
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cccc(C(=O)NCCCN2CCC(O)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-14(2)20-16-6-3-5-15(13-16)18(23)19-9-4-10-21-11-7-17(22)8-12-21/h3,5-6,13-14,17,20,22H,4,7-12H2,1-2H3,(H,19,23)
InChIKeyHERYGFWSZGEAEI-UHFFFAOYSA-N
XLogP2.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide (CID 71850252) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide is CC(C)Nc1cccc(C(=O)NCCCN2CCC(O)CC2)c1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide?
The InChIKey is HERYGFWSZGEAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)20-16-6-3-5-15(13-16)18(23)19-9-4-10-21-11-7-17(22)8-12-21/h3,5-6,13-14,17,20,22H,4,7-12H2,1-2H3,(H,19,23).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide has a molecular weight of 319.45 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 71850252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).