N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide

C22H27N3O3 — CID 108548465

IUPACN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-4-17-6-8-20(9-7-17)28-16-21(26)25-13-10-19(11-14-25)24-22(27)18-5-3-12-23-15-18/h3,5-9,12,15,19H,2,4,10-11,13-14,16H2,1H3,(H,24,27)
InChIKeyDVWQXYBASMKURB-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.83
Rot. Bonds7

About N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 108548465) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID108548465
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-2-4-17-6-8-20(9-7-17)28-16-21(26)25-13-10-19(11-14-25)24-22(27)18-5-3-12-23-15-18/h3,5-9,12,15,19H,2,4,10-11,13-14,16H2,1H3,(H,24,27)
InChIKeyDVWQXYBASMKURB-UHFFFAOYSA-N
XLogP2.83
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108548532
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565166
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836638
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide (CID 108548465) is N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide is CCCc1ccc(OCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is DVWQXYBASMKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-4-17-6-8-20(9-7-17)28-16-21(26)25-13-10-19(11-14-25)24-22(27)18-5-3-12-23-15-18/h3,5-9,12,15,19H,2,4,10-11,13-14,16H2,1H3,(H,24,27).
What are the key properties of N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 108548465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).