N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide

C28H37N3O3 — CID 42693509

IUPACN-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)COCc3ccccc3)CC2)CC1
InChIInChI=1S/C28H37N3O3/c32-27(22-34-21-24-9-5-2-6-10-24)31-19-14-26(15-20-31)30-17-12-25(13-18-30)28(33)29-16-11-23-7-3-1-4-8-23/h1-10,25-26H,11-22H2,(H,29,33)
InChIKeySZQLGOIWYQMTQU-UHFFFAOYSA-N
MW463.62 g/mol
LogP3.27
Rot. Bonds9

About N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide

N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42693509) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID42693509
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)COCc3ccccc3)CC2)CC1
InChIInChI=1S/C28H37N3O3/c32-27(22-34-21-24-9-5-2-6-10-24)31-19-14-26(15-20-31)30-17-12-25(13-18-30)28(33)29-16-11-23-7-3-1-4-8-23/h1-10,25-26H,11-22H2,(H,29,33)
InChIKeySZQLGOIWYQMTQU-UHFFFAOYSA-N
XLogP3.27
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881854
1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 56895278
(3S)-1-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 96576719
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25456452
N-(2-phenylethyl)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42240976
(3S)-1-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95435881
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42693509) is N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C2CCN(C(=O)COCc3ccccc3)CC2)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is SZQLGOIWYQMTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c32-27(22-34-21-24-9-5-2-6-10-24)31-19-14-26(15-20-31)30-17-12-25(13-18-30)28(33)29-16-11-23-7-3-1-4-8-23/h1-10,25-26H,11-22H2,(H,29,33).
What are the key properties of N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 463.62 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42693509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).