(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide

C18H29N5O — CID 120632054

IUPAC(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCN1
InChIInChI=1S/C18H29N5O/c1-14-11-16(5-6-19-14)18(24)21-13-15-3-4-17(20-12-15)23-9-7-22(2)8-10-23/h3-4,12,14,16,19H,5-11,13H2,1-2H3,(H,21,24)/t14-,16-/m0/s1
InChIKeyBAXNPGOOIOPWMP-HOCLYGCPSA-N
MW331.46 g/mol
LogP0.84
Rot. Bonds4

About (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 120632054) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID120632054
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCN1
InChIInChI=1S/C18H29N5O/c1-14-11-16(5-6-19-14)18(24)21-13-15-3-4-17(20-12-15)23-9-7-22(2)8-10-23/h3-4,12,14,16,19H,5-11,13H2,1-2H3,(H,21,24)/t14-,16-/m0/s1
InChIKeyBAXNPGOOIOPWMP-HOCLYGCPSA-N
XLogP0.84
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(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-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132
3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119901247
(2S,4S)-2-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120633628
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
(2S,4S)-N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633158
(2S,4S)-2-methyl-N-[(6-propoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120636109
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739794
(2S,4S)-2-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 120632060
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide (CID 120632054) is (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is BAXNPGOOIOPWMP-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H29N5O/c1-14-11-16(5-6-19-14)18(24)21-13-15-3-4-17(20-12-15)23-9-7-22(2)8-10-23/h3-4,12,14,16,19H,5-11,13H2,1-2H3,(H,21,24)/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120632054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).