[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone

C19H22N2O2 — CID 94979993

IUPAC[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cccc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)c1
InChIInChI=1S/C19H22N2O2/c1-15-4-2-6-18(12-15)23-14-16-5-3-11-21(13-16)19(22)17-7-9-20-10-8-17/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3/t16-/m0/s1
InChIKeyTZTIDDGJWQRNCJ-INIZCTEOSA-N
MW310.40 g/mol
LogP3.32
Rot. Bonds4

About [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone

[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 94979993) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID94979993
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cccc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)c1
InChIInChI=1S/C19H22N2O2/c1-15-4-2-6-18(12-15)23-14-16-5-3-11-21(13-16)19(22)17-7-9-20-10-8-17/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3/t16-/m0/s1
InChIKeyTZTIDDGJWQRNCJ-INIZCTEOSA-N
XLogP3.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119068422
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 95872962
6-methyl-5-[3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 70782735
[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
3-[(3R)-3-[(3-methylphenoxy)methyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 51586625
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70730374
[3-[[1-(2-methylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50847103
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
N-cyclopropyl-3-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methoxy]benzamide
CID 92901057
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 94979993) is [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)c1.
What is the InChIKey of [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is TZTIDDGJWQRNCJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-4-2-6-18(12-15)23-14-16-5-3-11-21(13-16)19(22)17-7-9-20-10-8-17/h2,4,6-10,12,16H,3,5,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 310.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 94979993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).