2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide

C19H23N3O2 — CID 97274690

IUPAC2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(OC[C@@H]2CCCN(c3cc(C(N)=O)ccn3)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-4-6-17(7-5-14)24-13-15-3-2-10-22(12-15)18-11-16(19(20)23)8-9-21-18/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,20,23)/t15-/m1/s1
InChIKeyKAILVRQGJPQXIY-OAHLLOKOSA-N
MW325.41 g/mol
LogP2.78
Rot. Bonds5

About 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide

2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 97274690) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID97274690
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(OC[C@@H]2CCCN(c3cc(C(N)=O)ccn3)C2)cc1
InChIInChI=1S/C19H23N3O2/c1-14-4-6-17(7-5-14)24-13-15-3-2-10-22(12-15)18-11-16(19(20)23)8-9-21-18/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,20,23)/t15-/m1/s1
InChIKeyKAILVRQGJPQXIY-OAHLLOKOSA-N
XLogP2.78
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 71996494
N-ethyl-2-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide
CID 97269555
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95225385
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 70722943
2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
CID 72938937
[2-[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]quinolin-3-yl]methanol
CID 97438095
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
[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 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide (CID 97274690) is 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide is Cc1ccc(OC[C@@H]2CCCN(c3cc(C(N)=O)ccn3)C2)cc1.
What is the InChIKey of 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is KAILVRQGJPQXIY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-4-6-17(7-5-14)24-13-15-3-2-10-22(12-15)18-11-16(19(20)23)8-9-21-18/h4-9,11,15H,2-3,10,12-13H2,1H3,(H2,20,23)/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide?
2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97274690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).