2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide

C12H17ClN4O — CID 79840057

IUPAC2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2ccncc2Cl)CC1
InChIInChI=1S/C12H17ClN4O/c13-10-7-15-4-1-11(10)16-9-2-5-17(6-3-9)8-12(14)18/h1,4,7,9H,2-3,5-6,8H2,(H2,14,18)(H,15,16)
InChIKeyYUGCSCZYBGSYLN-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.10
Rot. Bonds4

About 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide

2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide (PubChem CID 79840057) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide
PubChem CID79840057
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2ccncc2Cl)CC1
InChIInChI=1S/C12H17ClN4O/c13-10-7-15-4-1-11(10)16-9-2-5-17(6-3-9)8-12(14)18/h1,4,7,9H,2-3,5-6,8H2,(H2,14,18)(H,15,16)
InChIKeyYUGCSCZYBGSYLN-UHFFFAOYSA-N
XLogP1.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide (CID 79840057) is 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2ccncc2Cl)CC1.
What is the InChIKey of 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide?
The InChIKey is YUGCSCZYBGSYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c13-10-7-15-4-1-11(10)16-9-2-5-17(6-3-9)8-12(14)18/h1,4,7,9H,2-3,5-6,8H2,(H2,14,18)(H,15,16).
What are the key properties of 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide?
2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide has a molecular weight of 268.75 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-pyridinyl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 79840057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).