(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

C19H25N3O3 — CID 86283173

IUPAC(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1C1CC1
InChIInChI=1S/C19H25N3O3/c23-18(21-9-2-1-3-10-21)14-5-4-8-20-17(14)22-11-15(13-6-7-13)16(12-22)19(24)25/h4-5,8,13,15-16H,1-3,6-7,9-12H2,(H,24,25)/t15-,16+/m0/s1
InChIKeyZOLVPSIPXDSDEW-JKSUJKDBSA-N
MW343.43 g/mol
LogP2.25
Rot. Bonds4

About (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (PubChem CID 86283173) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
PubChem CID86283173
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1C1CC1
InChIInChI=1S/C19H25N3O3/c23-18(21-9-2-1-3-10-21)14-5-4-8-20-17(14)22-11-15(13-6-7-13)16(12-22)19(24)25/h4-5,8,13,15-16H,1-3,6-7,9-12H2,(H,24,25)/t15-,16+/m0/s1
InChIKeyZOLVPSIPXDSDEW-JKSUJKDBSA-N
XLogP2.25
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
piperidin-1-yl-[2-(3-pyridin-4-ylazetidin-1-yl)-3-pyridinyl]methanone
CID 56865869
[2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72918907
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
5-methyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 122117997
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
[2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 95873638
(2,6-dimethylmorpholin-4-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 134016503

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid (CID 86283173) is (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(c2ncccc2C(=O)N2CCCCC2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZOLVPSIPXDSDEW-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(21-9-2-1-3-10-21)14-5-4-8-20-17(14)22-11-15(13-6-7-13)16(12-22)19(24)25/h4-5,8,13,15-16H,1-3,6-7,9-12H2,(H,24,25)/t15-,16+/m0/s1.
What are the key properties of (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 86283173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).