N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide

C20H30N2O2 — CID 3138595

IUPACN-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23)
InChIKeyPEQPXWXFRBSBCY-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.73
Rot. Bonds5

About N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide

N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide (PubChem CID 3138595) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
PubChem CID3138595
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESCC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23)
InChIKeyPEQPXWXFRBSBCY-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide (CID 3138595) is N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide is CC(C(=O)NCC1(c2ccccc2)CCOCC1)N1CCCCC1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The InChIKey is PEQPXWXFRBSBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-17(22-12-6-3-7-13-22)19(23)21-16-20(10-14-24-15-11-20)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3,(H,21,23).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide?
N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide has a molecular weight of 330.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 3138595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).