(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide

C16H25N3O2 — CID 120636109

IUPAC(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-8-21-15-5-4-13(10-18-15)11-19-16(20)14-6-7-17-12(2)9-14/h4-5,10,12,14,17H,3,6-9,11H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
InChIKeyCJKDTPWFARXASK-JSGCOSHPSA-N
MW291.40 g/mol
LogP1.87
Rot. Bonds6

About (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 120636109) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID120636109
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-8-21-15-5-4-13(10-18-15)11-19-16(20)14-6-7-17-12(2)9-14/h4-5,10,12,14,17H,3,6-9,11H2,1-2H3,(H,19,20)/t12-,14-/m0/s1
InChIKeyCJKDTPWFARXASK-JSGCOSHPSA-N
XLogP1.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120632053
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide (CID 120636109) is (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide is CCCOc1ccc(CNC(=O)[C@H]2CCN[C@@H](C)C2)cn1.
What is the InChIKey of (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is CJKDTPWFARXASK-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-21-15-5-4-13(10-18-15)11-19-16(20)14-6-7-17-12(2)9-14/h4-5,10,12,14,17H,3,6-9,11H2,1-2H3,(H,19,20)/t12-,14-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120636109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).