N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C22H29N5O2 — CID 55969887

IUPACN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H29N5O2/c28-21(20-6-2-9-27(17-20)22-23-7-3-8-24-22)25-15-18-4-1-5-19(14-18)16-26-10-12-29-13-11-26/h1,3-5,7-8,14,20H,2,6,9-13,15-17H2,(H,25,28)
InChIKeyONRUYHHCYQCQBD-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.84
Rot. Bonds6

About N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 55969887) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID55969887
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(CN2CCOCC2)c1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H29N5O2/c28-21(20-6-2-9-27(17-20)22-23-7-3-8-24-22)25-15-18-4-1-5-19(14-18)16-26-10-12-29-13-11-26/h1,3-5,7-8,14,20H,2,6,9-13,15-17H2,(H,25,28)
InChIKeyONRUYHHCYQCQBD-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3S)-1-(dimethylsulfamoyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125075199
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43917450
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51091928
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889627
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43933597

Frequently Asked Questions

What is the IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 55969887) is N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCc1cccc(CN2CCOCC2)c1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is ONRUYHHCYQCQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21(20-6-2-9-27(17-20)22-23-7-3-8-24-22)25-15-18-4-1-5-19(14-18)16-26-10-12-29-13-11-26/h1,3-5,7-8,14,20H,2,6,9-13,15-17H2,(H,25,28).
What are the key properties of N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55969887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).