N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide

C18H22N4O — CID 44573333

IUPACN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C18H22N4O/c1-14(23)22(16-5-3-2-4-6-16)17-8-11-21(12-9-17)18-13-15(19)7-10-20-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H2,19,20)
InChIKeyLUMFZRAFBFWZRW-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.69
Rot. Bonds3

About N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide

N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide (PubChem CID 44573333) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide
PubChem CID44573333
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1CCN(c2cc(N)ccn2)CC1
InChIInChI=1S/C18H22N4O/c1-14(23)22(16-5-3-2-4-6-16)17-8-11-21(12-9-17)18-13-15(19)7-10-20-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H2,19,20)
InChIKeyLUMFZRAFBFWZRW-UHFFFAOYSA-N
XLogP2.69
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide (CID 44573333) is N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)C1CCN(c2cc(N)ccn2)CC1.
What is the InChIKey of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide?
The InChIKey is LUMFZRAFBFWZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14(23)22(16-5-3-2-4-6-16)17-8-11-21(12-9-17)18-13-15(19)7-10-20-18/h2-7,10,13,17H,8-9,11-12H2,1H3,(H2,19,20).
What are the key properties of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide?
N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide has a molecular weight of 310.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 44573333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).