butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate

C24H30N2O3 — CID 108563754

IUPACbutyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate
SMILESCCCCOC(=O)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-2-3-18-29-24(28)25-21-14-16-26(17-15-21)23(27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,2-3,14-18H2,1H3,(H,25,28)
InChIKeyIISGRKFFFZZLLT-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.34
Rot. Bonds7

About butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate

butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate (PubChem CID 108563754) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate
PubChem CID108563754
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Namebutyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate
SMILESCCCCOC(=O)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O3/c1-2-3-18-29-24(28)25-21-14-16-26(17-15-21)23(27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,2-3,14-18H2,1H3,(H,25,28)
InChIKeyIISGRKFFFZZLLT-UHFFFAOYSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 108565971
butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
CID 108563672
tert-butyl 5-[4-(butoxycarbonylamino)piperidin-1-yl]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoate
CID 66854406
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
2-amino-3-methoxy-N-[1-(2-phenylbutanoyl)piperidin-4-yl]propanamide
CID 120988219
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-3-phenylpropanamide
CID 46464176
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
tert-butyl 4-amino-5-[4-(butoxycarbonylamino)piperidin-1-yl]-5-oxopentanoate
CID 66854395
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate?
The IUPAC name of butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate (CID 108563754) is butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate is CCCCOC(=O)NC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate?
The InChIKey is IISGRKFFFZZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-2-3-18-29-24(28)25-21-14-16-26(17-15-21)23(27)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,2-3,14-18H2,1H3,(H,25,28).
What are the key properties of butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate?
butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate has a molecular weight of 394.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108563754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).