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

C22H29N5O3 — CID 121241056

IUPACN-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCN1CCOCC1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H29N5O3/c28-21(18-5-3-10-27(17-18)22-23-8-4-9-24-22)25-19-6-1-2-7-20(19)30-16-13-26-11-14-29-15-12-26/h1-2,4,6-9,18H,3,5,10-17H2,(H,25,28)
InChIKeySBIQCZYYXQMFEC-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.04
Rot. Bonds7

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

N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 121241056) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID121241056
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC NameN-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCN1CCOCC1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H29N5O3/c28-21(18-5-3-10-27(17-18)22-23-8-4-9-24-22)25-19-6-1-2-7-20(19)30-16-13-26-11-14-29-15-12-26/h1-2,4,6-9,18H,3,5,10-17H2,(H,25,28)
InChIKeySBIQCZYYXQMFEC-UHFFFAOYSA-N
XLogP2.04
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55576251
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
(3R)-N-(2-ethoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085848
(3R)-1-pyrimidin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 40599471
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
N-(2,3-dimethylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221264
2-(2-morpholin-4-ylethoxy)-N-(1-pyridin-2-ylpiperidin-3-yl)benzamide
CID 110149548
(3S)-N-(2-ethoxyphenyl)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085709
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 121241056) is N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccccc1OCCN1CCOCC1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is SBIQCZYYXQMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c28-21(18-5-3-10-27(17-18)22-23-8-4-9-24-22)25-19-6-1-2-7-20(19)30-16-13-26-11-14-29-15-12-26/h1-2,4,6-9,18H,3,5,10-17H2,(H,25,28).
What are the key properties of N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-morpholin-4-ylethoxy)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 121241056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).