4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide

C22H29N3O2 — CID 50972805

IUPAC4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(OC2(C(=O)NC(C)Cc3ncccc3C)CCNCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-16-6-8-19(9-7-16)27-22(10-13-23-14-11-22)21(26)25-18(3)15-20-17(2)5-4-12-24-20/h4-9,12,18,23H,10-11,13-15H2,1-3H3,(H,25,26)
InChIKeyVGWYTHHWDRDWBL-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.95
Rot. Bonds6

About 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide

4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 50972805) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide
PubChem CID50972805
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(OC2(C(=O)NC(C)Cc3ncccc3C)CCNCC2)cc1
InChIInChI=1S/C22H29N3O2/c1-16-6-8-19(9-7-16)27-22(10-13-23-14-11-22)21(26)25-18(3)15-20-17(2)5-4-12-24-20/h4-9,12,18,23H,10-11,13-15H2,1-3H3,(H,25,26)
InChIKeyVGWYTHHWDRDWBL-UHFFFAOYSA-N
XLogP2.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 70757967
N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 124852129
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4-(4-methylphenoxy)piperidine-4-carboxamide
CID 95127349
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154897322
4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 154897274
4-methoxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-4-carboxamide
CID 119742824
1-[4-(difluoromethoxy)-2-methylphenyl]-3-[1-(3-methyl-2-pyridinyl)propan-2-yl]urea
CID 74242617
3-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 112650921
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylphenoxy)piperidine-4-carboxamide;hydrochloride
CID 154895653
4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
5-(difluoromethyl)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]-1H-pyrazole-3-carboxamide
CID 125173476
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide (CID 50972805) is 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide is Cc1ccc(OC2(C(=O)NC(C)Cc3ncccc3C)CCNCC2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is VGWYTHHWDRDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-6-8-19(9-7-16)27-22(10-13-23-14-11-22)21(26)25-18(3)15-20-17(2)5-4-12-24-20/h4-9,12,18,23H,10-11,13-15H2,1-3H3,(H,25,26).
What are the key properties of 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide?
4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-[1-(3-methyl-2-pyridinyl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50972805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).