N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide

C16H23F3N4O — CID 138036990

IUPACN-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1cncnc1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O/c1-22(15(24)3-2-13-10-20-12-21-11-13)14-4-7-23(8-5-14)9-6-16(17,18)19/h10-12,14H,2-9H2,1H3
InChIKeyGWSZHRNQTYIGJN-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.28
Rot. Bonds6

About N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide

N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide (PubChem CID 138036990) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
PubChem CID138036990
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC NameN-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1cncnc1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C16H23F3N4O/c1-22(15(24)3-2-13-10-20-12-21-11-13)14-4-7-23(8-5-14)9-6-16(17,18)19/h10-12,14H,2-9H2,1H3
InChIKeyGWSZHRNQTYIGJN-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopentyl-8-(5-propyl-4-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70756429
2-Cyclopentyl-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70786979
2-Ethyl-8-(5-ethylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449700
6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
CID 78225824
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106
(6S)-2-propan-2-yl-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96398619
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
2-[2-(4-Acetylpiperazin-1-yl)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 58228452
1-[4-[5-[2-Amino-1-(4,4-difluoropiperidin-1-yl)ethyl]pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 58228454
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyrrolidin-2-yl]methanone
CID 68810211

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide (CID 138036990) is N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide is CN(C(=O)CCc1cncnc1)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
The InChIKey is GWSZHRNQTYIGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-22(15(24)3-2-13-10-20-12-21-11-13)14-4-7-23(8-5-14)9-6-16(17,18)19/h10-12,14H,2-9H2,1H3.
What are the key properties of N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide has a molecular weight of 344.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrimidin-5-yl-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138036990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).