1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

C18H25ClN4O3 — CID 120798562

IUPAC1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESNC(C(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)C1CCOCC1
InChIInChI=1S/C18H25ClN4O3/c19-14-3-4-15(21-10-14)22-17(24)13-2-1-7-23(11-13)18(25)16(20)12-5-8-26-9-6-12/h3-4,10,12-13,16H,1-2,5-9,11,20H2,(H,21,22,24)
InChIKeyZIFKQMVZFVYNGL-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.67
Rot. Bonds4

About 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide

1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 120798562) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
PubChem CID120798562
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
SMILESNC(C(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)C1CCOCC1
InChIInChI=1S/C18H25ClN4O3/c19-14-3-4-15(21-10-14)22-17(24)13-2-1-7-23(11-13)18(25)16(20)12-5-8-26-9-6-12/h3-4,10,12-13,16H,1-2,5-9,11,20H2,(H,21,22,24)
InChIKeyZIFKQMVZFVYNGL-UHFFFAOYSA-N
XLogP1.67
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide (CID 120798562) is 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is NC(C(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)C1CCOCC1.
What is the InChIKey of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is ZIFKQMVZFVYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c19-14-3-4-15(21-10-14)22-17(24)13-2-1-7-23(11-13)18(25)16(20)12-5-8-26-9-6-12/h3-4,10,12-13,16H,1-2,5-9,11,20H2,(H,21,22,24).
What are the key properties of 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide?
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 120798562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).