piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone

C19H27N5O3S — CID 50787545

IUPACpiperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone
SMILESCC(C)n1nnc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C19H27N5O3S/c1-14(2)24-17-9-8-15(13-16(17)20-21-24)28(26,27)23-12-6-7-18(23)19(25)22-10-4-3-5-11-22/h8-9,13-14,18H,3-7,10-12H2,1-2H3
InChIKeyAFSXQRUHANQAFF-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.18
Rot. Bonds4

About piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone

piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone (PubChem CID 50787545) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone
PubChem CID50787545
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Namepiperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone
SMILESCC(C)n1nnc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C19H27N5O3S/c1-14(2)24-17-9-8-15(13-16(17)20-21-24)28(26,27)23-12-6-7-18(23)19(25)22-10-4-3-5-11-22/h8-9,13-14,18H,3-7,10-12H2,1-2H3
InChIKeyAFSXQRUHANQAFF-UHFFFAOYSA-N
XLogP2.18
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxamide
CID 92890089
(2R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 92871306
[1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50787349
(2R)-1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonylpyrrolidine-2-carboxylic acid
CID 92715350
N-butyl-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 50787500
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
[1-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55941516
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204
N-[2-(1H-imidazol-5-yl)ethyl]-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 50787347
N-[3-(diethylamino)propyl]-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 50787540
N-(3-methylbutyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide
CID 50787612
(3S)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92890108

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone (CID 50787545) is piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone is CC(C)n1nnc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCCCC3)ccc21.
What is the InChIKey of piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone?
The InChIKey is AFSXQRUHANQAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14(2)24-17-9-8-15(13-16(17)20-21-24)28(26,27)23-12-6-7-18(23)19(25)22-10-4-3-5-11-22/h8-9,13-14,18H,3-7,10-12H2,1-2H3.
What are the key properties of piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone?
piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone has a molecular weight of 405.52 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-(1-propan-2-ylbenzotriazol-5-yl)sulfonylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 50787545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).