N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide

C19H26N2O3 — CID 97328592

IUPACN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1=COCCC1
InChIInChI=1S/C19H26N2O3/c22-13-16-8-9-21(11-15-5-2-1-3-6-15)12-18(16)20-19(23)17-7-4-10-24-14-17/h1-3,5-6,14,16,18,22H,4,7-13H2,(H,20,23)/t16-,18+/m0/s1
InChIKeyNNWBJMFTMJLDPJ-FUHWJXTLSA-N
MW330.43 g/mol
LogP1.68
Rot. Bonds5

About N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide

N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97328592) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97328592
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1=COCCC1
InChIInChI=1S/C19H26N2O3/c22-13-16-8-9-21(11-15-5-2-1-3-6-15)12-18(16)20-19(23)17-7-4-10-24-14-17/h1-3,5-6,14,16,18,22H,4,7-13H2,(H,20,23)/t16-,18+/m0/s1
InChIKeyNNWBJMFTMJLDPJ-FUHWJXTLSA-N
XLogP1.68
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 97328592) is N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide is O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C1=COCCC1.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is NNWBJMFTMJLDPJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-13-16-8-9-21(11-15-5-2-1-3-6-15)12-18(16)20-19(23)17-7-4-10-24-14-17/h1-3,5-6,14,16,18,22H,4,7-13H2,(H,20,23)/t16-,18+/m0/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97328592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).