N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide

C16H21N3O4 — CID 22108195

IUPACN-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
SMILESNC(=O)NC(=O)CCN1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H21N3O4/c17-16(23)18-14(21)7-10-19-8-5-12(6-9-19)15(22)11-1-3-13(20)4-2-11/h1-4,12,20H,5-10H2,(H3,17,18,21,23)
InChIKeyFLLWVGFHDUADHD-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.87
Rot. Bonds5

About N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide

N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide (PubChem CID 22108195) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
PubChem CID22108195
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide
SMILESNC(=O)NC(=O)CCN1CCC(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C16H21N3O4/c17-16(23)18-14(21)7-10-19-8-5-12(6-9-19)15(22)11-1-3-13(20)4-2-11/h1-4,12,20H,5-10H2,(H3,17,18,21,23)
InChIKeyFLLWVGFHDUADHD-UHFFFAOYSA-N
XLogP0.87
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide (CID 22108195) is N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide is NC(=O)NC(=O)CCN1CCC(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
The InChIKey is FLLWVGFHDUADHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c17-16(23)18-14(21)7-10-19-8-5-12(6-9-19)15(22)11-1-3-13(20)4-2-11/h1-4,12,20H,5-10H2,(H3,17,18,21,23).
What are the key properties of N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide?
N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide has a molecular weight of 319.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[4-(4-hydroxybenzoyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 22108195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).