1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide

C18H26N4O2 — CID 95847018

IUPAC1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESCN1CCC[C@H](c2ccnc(C(=O)N3CCC(C(N)=O)CC3)c2)C1
InChIInChI=1S/C18H26N4O2/c1-21-8-2-3-15(12-21)14-4-7-20-16(11-14)18(24)22-9-5-13(6-10-22)17(19)23/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H2,19,23)/t15-/m0/s1
InChIKeyDLFXPHBDWDRDIG-HNNXBMFYSA-N
MW330.43 g/mol
LogP1.23
Rot. Bonds3

About 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide

1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 95847018) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide
PubChem CID95847018
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESCN1CCC[C@H](c2ccnc(C(=O)N3CCC(C(N)=O)CC3)c2)C1
InChIInChI=1S/C18H26N4O2/c1-21-8-2-3-15(12-21)14-4-7-20-16(11-14)18(24)22-9-5-13(6-10-22)17(19)23/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H2,19,23)/t15-/m0/s1
InChIKeyDLFXPHBDWDRDIG-HNNXBMFYSA-N
XLogP1.23
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide (CID 95847018) is 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide is CN1CCC[C@H](c2ccnc(C(=O)N3CCC(C(N)=O)CC3)c2)C1.
What is the InChIKey of 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is DLFXPHBDWDRDIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-21-8-2-3-15(12-21)14-4-7-20-16(11-14)18(24)22-9-5-13(6-10-22)17(19)23/h4,7,11,13,15H,2-3,5-6,8-10,12H2,1H3,(H2,19,23)/t15-/m0/s1.
What are the key properties of 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide?
1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-1-methylpiperidin-3-yl]pyridine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 95847018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).