N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride

C12H17ClN3O- — CID 53312688

IUPACN-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
SMILESO=C(NCC1CCNCC1)c1ccncc1.[Cl-]
InChIInChI=1S/C12H17N3O.ClH/c16-12(11-3-7-14-8-4-11)15-9-10-1-5-13-6-2-10;/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16);1H/p-1
InChIKeyXYMDSEAFEYXZBF-UHFFFAOYSA-M
MW254.74 g/mol
LogP-2.18
Rot. Bonds3

About N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride

N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride (PubChem CID 53312688) has the molecular formula C12H17ClN3O- and a molecular weight of 254.74 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
PubChem CID53312688
Molecular FormulaC12H17ClN3O-
Molecular Weight254.74 g/mol
Exact Mass254.11
IUPAC NameN-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
SMILESO=C(NCC1CCNCC1)c1ccncc1.[Cl-]
InChIInChI=1S/C12H17N3O.ClH/c16-12(11-3-7-14-8-4-11)15-9-10-1-5-13-6-2-10;/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16);1H/p-1
InChIKeyXYMDSEAFEYXZBF-UHFFFAOYSA-M
XLogP-2.18
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 5-2.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxa-9-azaspiro[5.5]undecan-4-ylmethyl)pyridine-4-carboxamide
CID 176515523
4-fluoro-N-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 121108538
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144
4-hydroxy-3-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107671970
tert-butyl formate;4-tert-butyl-N-(piperidin-4-ylmethyl)benzamide
CID 174760700
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-(piperidin-4-ylmethyl)-1H-indole-5-carboxamide
CID 63747736
4-bromo-3-chloro-N-(piperidin-4-ylmethyl)benzamide
CID 81295068
4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 170181761
3-hydroxy-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79725483
1-methyl-2-oxo-N-(piperidin-4-ylmethyl)pyridine-4-carboxamide
CID 103793623

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride?
The IUPAC name of N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride (CID 53312688) is N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride is O=C(NCC1CCNCC1)c1ccncc1.[Cl-].
What is the InChIKey of N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride?
The InChIKey is XYMDSEAFEYXZBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H17N3O.ClH/c16-12(11-3-7-14-8-4-11)15-9-10-1-5-13-6-2-10;/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16);1H/p-1.
What are the key properties of N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride?
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride has a molecular weight of 254.74 g/mol, XLogP of -2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride is sourced from PubChem (CID 53312688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).