(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C16H22N4O3 — CID 95765435

IUPAC(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C16H22N4O3/c17-14(21)13-4-2-8-20(13)11-5-9-19(10-6-11)16(23)12-3-1-7-18-15(12)22/h1,3,7,11,13H,2,4-6,8-10H2,(H2,17,21)(H,18,22)/t13-/m0/s1
InChIKeyRLLGBQQFIKVDSB-ZDUSSCGKSA-N
MW318.38 g/mol
LogP-0.07
Rot. Bonds3

About (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 95765435) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID95765435
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C16H22N4O3/c17-14(21)13-4-2-8-20(13)11-5-9-19(10-6-11)16(23)12-3-1-7-18-15(12)22/h1,3,7,11,13H,2,4-6,8-10H2,(H2,17,21)(H,18,22)/t13-/m0/s1
InChIKeyRLLGBQQFIKVDSB-ZDUSSCGKSA-N
XLogP-0.07
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 95765435) is (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is RLLGBQQFIKVDSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O3/c17-14(21)13-4-2-8-20(13)11-5-9-19(10-6-11)16(23)12-3-1-7-18-15(12)22/h1,3,7,11,13H,2,4-6,8-10H2,(H2,17,21)(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 95765435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).