N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide

C18H25N3O5S — CID 97133790

IUPACN-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc2)CCCC1
InChIInChI=1S/C18H25N3O5S/c19-17(24)18(9-1-2-10-18)20-16(23)13-5-7-15(8-6-13)27(25,26)21-11-3-4-14(22)12-21/h5-8,14,22H,1-4,9-12H2,(H2,19,24)(H,20,23)/t14-/m0/s1
InChIKeyMZQXDBYBYPJNFT-AWEZNQCLSA-N
MW395.48 g/mol
LogP0.36
Rot. Bonds5

About N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide

N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide (PubChem CID 97133790) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
PubChem CID97133790
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC NameN-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
SMILESNC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc2)CCCC1
InChIInChI=1S/C18H25N3O5S/c19-17(24)18(9-1-2-10-18)20-16(23)13-5-7-15(8-6-13)27(25,26)21-11-3-4-14(22)12-21/h5-8,14,22H,1-4,9-12H2,(H2,19,24)(H,20,23)/t14-/m0/s1
InChIKeyMZQXDBYBYPJNFT-AWEZNQCLSA-N
XLogP0.36
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide
CID 97139801
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
4-(3-hydroxypiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 122152547
4-(3-hydroxypiperidin-1-yl)sulfonylbenzaldehyde
CID 146636211
4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzaldehyde
CID 155923738
1-[(6-hydrazinyl-3-pyridinyl)sulfonyl]piperidin-3-ol
CID 61435671
4-(3-hydroxypiperidin-1-yl)sulfonylbenzonitrile
CID 43394264
(3S)-1-(4-nitrophenyl)sulfonylpiperidin-3-ol
CID 93033901
1-[4-[(cyclopropylamino)methyl]phenyl]sulfonylpiperidin-3-ol
CID 61435583
1-[4-(ethylaminomethyl)phenyl]sulfonylpiperidin-3-ol
CID 61435532
2-[4-(3-hydroxypiperidin-1-yl)sulfonylphenoxy]acetic acid
CID 43503048
(3S)-1-(3-amino-4-bromophenyl)sulfonylpiperidin-3-ol
CID 107213789

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide (CID 97133790) is N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide is NC(=O)C1(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](O)C3)cc2)CCCC1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
The InChIKey is MZQXDBYBYPJNFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O5S/c19-17(24)18(9-1-2-10-18)20-16(23)13-5-7-15(8-6-13)27(25,26)21-11-3-4-14(22)12-21/h5-8,14,22H,1-4,9-12H2,(H2,19,24)(H,20,23)/t14-/m0/s1.
What are the key properties of N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide?
N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide has a molecular weight of 395.48 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-4-[(3S)-3-hydroxypiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 97133790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).