3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one

C20H31N3O3S — CID 57090730

IUPAC3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one
SMILESCCC[C@H]1CN(S(=O)(=O)c2cccnc2)CC1C(=O)CCN1CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-2-7-17-15-23(27(25,26)18-8-6-10-21-14-18)16-19(17)20(24)9-13-22-11-4-3-5-12-22/h6,8,10,14,17,19H,2-5,7,9,11-13,15-16H2,1H3/t17-,19?/m0/s1
InChIKeyYFQQOPGPHDCSMF-KKFHFHRHSA-N
MW393.55 g/mol
LogP2.56
Rot. Bonds8

About 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one

3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one (PubChem CID 57090730) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one
PubChem CID57090730
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one
SMILESCCC[C@H]1CN(S(=O)(=O)c2cccnc2)CC1C(=O)CCN1CCCCC1
InChIInChI=1S/C20H31N3O3S/c1-2-7-17-15-23(27(25,26)18-8-6-10-21-14-18)16-19(17)20(24)9-13-22-11-4-3-5-12-22/h6,8,10,14,17,19H,2-5,7,9,11-13,15-16H2,1H3/t17-,19?/m0/s1
InChIKeyYFQQOPGPHDCSMF-KKFHFHRHSA-N
XLogP2.56
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-pyridin-3-ylsulfonylazetidine-3-carboxamide
CID 95815582
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
2-(piperidin-1-ylmethyl)-4-pyridin-3-ylsulfonyl-1,4-oxazepane
CID 131926649
N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-(2-piperidin-1-ylethyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 53183521
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
(4R)-N-(3-piperidin-1-ylpropyl)-2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105953
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-[(1-pyridin-3-ylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63879976
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)oxyacetic acid
CID 63877172
N-(cyclohexylmethyl)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46409150

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one?
The IUPAC name of 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one (CID 57090730) is 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one is CCC[C@H]1CN(S(=O)(=O)c2cccnc2)CC1C(=O)CCN1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one?
The InChIKey is YFQQOPGPHDCSMF-KKFHFHRHSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-2-7-17-15-23(27(25,26)18-8-6-10-21-14-18)16-19(17)20(24)9-13-22-11-4-3-5-12-22/h6,8,10,14,17,19H,2-5,7,9,11-13,15-16H2,1H3/t17-,19?/m0/s1.
What are the key properties of 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one?
3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one has a molecular weight of 393.55 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-[(4R)-4-propyl-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]propan-1-one is sourced from PubChem (CID 57090730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).