1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide

C27H36N2O3S — CID 133190680

IUPAC1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H36N2O3S/c1-21(25-14-13-23-11-5-6-12-26(23)20-25)28-27(30)24-15-17-29(18-16-24)33(31,32)19-7-10-22-8-3-2-4-9-22/h2-4,8-9,13-14,20-21,24H,5-7,10-12,15-19H2,1H3,(H,28,30)
InChIKeyQJZHADGSZDIZTI-UHFFFAOYSA-N
MW468.66 g/mol
LogP4.42
Rot. Bonds8

About 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide

1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 133190680) has the molecular formula C27H36N2O3S and a molecular weight of 468.66 g/mol. Its IUPAC name is 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID133190680
Molecular FormulaC27H36N2O3S
Molecular Weight468.66 g/mol
Exact Mass468.24
IUPAC Name1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C27H36N2O3S/c1-21(25-14-13-23-11-5-6-12-26(23)20-25)28-27(30)24-15-17-29(18-16-24)33(31,32)19-7-10-22-8-3-2-4-9-22/h2-4,8-9,13-14,20-21,24H,5-7,10-12,15-19H2,1H3,(H,28,30)
InChIKeyQJZHADGSZDIZTI-UHFFFAOYSA-N
XLogP4.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.66
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-phenylpropylsulfonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 125077423
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 125049400
(3R)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92684371
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]cyclohexanecarboxamide
CID 127109666
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]cyclopropanecarboxamide
CID 94487664
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 133185942
1-(2-methoxyacetyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 97283398
N-(2-ethylsulfanylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28570527
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
CID 125078836
1-benzylsulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92675990
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133185941
1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802401

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide (CID 133190680) is 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is QJZHADGSZDIZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3S/c1-21(25-14-13-23-11-5-6-12-26(23)20-25)28-27(30)24-15-17-29(18-16-24)33(31,32)19-7-10-22-8-3-2-4-9-22/h2-4,8-9,13-14,20-21,24H,5-7,10-12,15-19H2,1H3,(H,28,30).
What are the key properties of 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide?
1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 468.66 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropylsulfonyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 133190680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).