N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C22H31N5O2 — CID 126792520

IUPACN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCC1CN(Cc2cccc(CNC(=O)N3CCC(c4ccn[nH]4)CC3)c2)CCO1
InChIInChI=1S/C22H31N5O2/c1-17-15-26(11-12-29-17)16-19-4-2-3-18(13-19)14-23-22(28)27-9-6-20(7-10-27)21-5-8-24-25-21/h2-5,8,13,17,20H,6-7,9-12,14-16H2,1H3,(H,23,28)(H,24,25)
InChIKeyDCDAGZANNVOEPL-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.72
Rot. Bonds5

About N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 126792520) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID126792520
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC NameN-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCC1CN(Cc2cccc(CNC(=O)N3CCC(c4ccn[nH]4)CC3)c2)CCO1
InChIInChI=1S/C22H31N5O2/c1-17-15-26(11-12-29-17)16-19-4-2-3-18(13-19)14-23-22(28)27-9-6-20(7-10-27)21-5-8-24-25-21/h2-5,8,13,17,20H,6-7,9-12,14-16H2,1H3,(H,23,28)(H,24,25)
InChIKeyDCDAGZANNVOEPL-UHFFFAOYSA-N
XLogP2.72
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methylfuran-2-carbonyl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879955
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
methyl 1-[N'-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111255011
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 47744242
(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081400
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 126792520) is N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is CC1CN(Cc2cccc(CNC(=O)N3CCC(c4ccn[nH]4)CC3)c2)CCO1.
What is the InChIKey of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is DCDAGZANNVOEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-17-15-26(11-12-29-17)16-19-4-2-3-18(13-19)14-23-22(28)27-9-6-20(7-10-27)21-5-8-24-25-21/h2-5,8,13,17,20H,6-7,9-12,14-16H2,1H3,(H,23,28)(H,24,25).
What are the key properties of N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126792520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).