N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide

C22H29N3O3 — CID 119848540

IUPACN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)cc1OCc1ccncc1
InChIInChI=1S/C22H29N3O3/c1-16(18-7-11-24-12-8-18)13-22(26)25-19-3-4-20(27-2)21(14-19)28-15-17-5-9-23-10-6-17/h3-6,9-10,14,16,18,24H,7-8,11-13,15H2,1-2H3,(H,25,26)
InChIKeyOCKQSBGLCVQNAK-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.63
Rot. Bonds8

About N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide

N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119848540) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119848540
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C2CCNCC2)cc1OCc1ccncc1
InChIInChI=1S/C22H29N3O3/c1-16(18-7-11-24-12-8-18)13-22(26)25-19-3-4-20(27-2)21(14-19)28-15-17-5-9-23-10-6-17/h3-6,9-10,14,16,18,24H,7-8,11-13,15H2,1-2H3,(H,25,26)
InChIKeyOCKQSBGLCVQNAK-UHFFFAOYSA-N
XLogP3.63
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]piperidine-3-carboxamide
CID 119848502
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-piperidin-4-ylbutanamide
CID 119724590
3-piperidin-4-yl-N-(2,4,5-trimethoxyphenyl)butanamide
CID 119808136
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide (CID 119848540) is N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide is COc1ccc(NC(=O)CC(C)C2CCNCC2)cc1OCc1ccncc1.
What is the InChIKey of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OCKQSBGLCVQNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(18-7-11-24-12-8-18)13-22(26)25-19-3-4-20(27-2)21(14-19)28-15-17-5-9-23-10-6-17/h3-6,9-10,14,16,18,24H,7-8,11-13,15H2,1-2H3,(H,25,26).
What are the key properties of N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide?
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 383.49 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119848540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).