N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide

C14H18N4O — CID 102736284

IUPACN-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H18N4O/c1-11(19)17-10-12-3-6-18(7-4-12)14-2-5-16-13(8-14)9-15/h2,5,8,12H,3-4,6-7,10H2,1H3,(H,17,19)
InChIKeyOICVHHBDBYIRQZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.31
Rot. Bonds3

About N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102736284) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
PubChem CID102736284
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccnc(C#N)c2)CC1
InChIInChI=1S/C14H18N4O/c1-11(19)17-10-12-3-6-18(7-4-12)14-2-5-16-13(8-14)9-15/h2,5,8,12H,3-4,6-7,10H2,1H3,(H,17,19)
InChIKeyOICVHHBDBYIRQZ-UHFFFAOYSA-N
XLogP1.31
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-cyano-4-pyridinyl)piperidin-4-yl]propanoic acid
CID 62924471
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
N-[[1-(3-amino-4-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102735880
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 22052415
N-[[1-(6-acetyl-3-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736440
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102736286
4-[4-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 63594687
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
N-[[1-[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736631

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide (CID 102736284) is N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccnc(C#N)c2)CC1.
What is the InChIKey of N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OICVHHBDBYIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(19)17-10-12-3-6-18(7-4-12)14-2-5-16-13(8-14)9-15/h2,5,8,12H,3-4,6-7,10H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).