N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide

C18H25N3O2 — CID 90521312

IUPACN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)C1CCCC1
InChIInChI=1S/C18H25N3O2/c22-17(15-4-1-2-5-15)20-12-14-7-10-21(11-8-14)18(23)16-6-3-9-19-13-16/h3,6,9,13-15H,1-2,4-5,7-8,10-12H2,(H,20,22)
InChIKeyGMEDKSBUAQYWFG-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.24
Rot. Bonds4

About N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide

N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide (PubChem CID 90521312) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
PubChem CID90521312
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCN(C(=O)c2cccnc2)CC1)C1CCCC1
InChIInChI=1S/C18H25N3O2/c22-17(15-4-1-2-5-15)20-12-14-7-10-21(11-8-14)18(23)16-6-3-9-19-13-16/h3,6,9,13-15H,1-2,4-5,7-8,10-12H2,(H,20,22)
InChIKeyGMEDKSBUAQYWFG-UHFFFAOYSA-N
XLogP2.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N'-propan-2-yl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520964
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
5-oxo-1-(1-phenylethyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]pyrrolidine-3-carboxamide
CID 108924633
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924745

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide (CID 90521312) is N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide is O=C(NCC1CCN(C(=O)c2cccnc2)CC1)C1CCCC1.
What is the InChIKey of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
The InChIKey is GMEDKSBUAQYWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(15-4-1-2-5-15)20-12-14-7-10-21(11-8-14)18(23)16-6-3-9-19-13-16/h3,6,9,13-15H,1-2,4-5,7-8,10-12H2,(H,20,22).
What are the key properties of N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide?
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 90521312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).