2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide

C22H32N2O4 — CID 56502005

IUPAC2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CN1CCCCC1C1OCCO1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H32N2O4/c25-20(16-24-11-5-4-8-19(24)21-27-14-15-28-21)23-17-22(9-12-26-13-10-22)18-6-2-1-3-7-18/h1-3,6-7,19,21H,4-5,8-17H2,(H,23,25)
InChIKeyRHMDATVMJNQDCF-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.08
Rot. Bonds6

About 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 56502005) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID56502005
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESO=C(CN1CCCCC1C1OCCO1)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H32N2O4/c25-20(16-24-11-5-4-8-19(24)21-27-14-15-28-21)23-17-22(9-12-26-13-10-22)18-6-2-1-3-7-18/h1-3,6-7,19,21H,4-5,8-17H2,(H,23,25)
InChIKeyRHMDATVMJNQDCF-UHFFFAOYSA-N
XLogP2.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136
2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55853449
1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid
CID 119908491
1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
1-[2-oxo-2-[(1-phenylcyclohexyl)methylamino]ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908743
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylacetamide
CID 75538689
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxamide
CID 86831653
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 56502005) is 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide is O=C(CN1CCCCC1C1OCCO1)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is RHMDATVMJNQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c25-20(16-24-11-5-4-8-19(24)21-27-14-15-28-21)23-17-22(9-12-26-13-10-22)18-6-2-1-3-7-18/h1-3,6-7,19,21H,4-5,8-17H2,(H,23,25).
What are the key properties of 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide?
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 56502005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).