1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

C19H24N4O2 — CID 94036422

IUPAC1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESO=C(CCNc1ncccn1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c24-17(7-12-22-19-20-10-4-11-21-19)23-13-8-16(9-14-23)18(25)15-5-2-1-3-6-15/h1-6,10-11,16,18,25H,7-9,12-14H2,(H,20,21,22)/t18-/m0/s1
InChIKeyQKSFTJAUAGZURB-SFHVURJKSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 94036422) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
PubChem CID94036422
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESO=C(CCNc1ncccn1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H24N4O2/c24-17(7-12-22-19-20-10-4-11-21-19)23-13-8-16(9-14-23)18(25)15-5-2-1-3-6-15/h1-6,10-11,16,18,25H,7-9,12-14H2,(H,20,21,22)/t18-/m0/s1
InChIKeyQKSFTJAUAGZURB-SFHVURJKSA-N
XLogP2.25
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110891683
N-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
CID 55516839
3-(4-tert-butylphenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 46511092
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 110887265
2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 111110060
1-[4-(1H-indol-2-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 51097129
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
1-(2,5-dimethylphenyl)-4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 134023990
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 110899700
3-[3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 46408551

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (CID 94036422) is 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is O=C(CCNc1ncccn1)N1CCC([C@@H](O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is QKSFTJAUAGZURB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17(7-12-22-19-20-10-4-11-21-19)23-13-8-16(9-14-23)18(25)15-5-2-1-3-6-15/h1-6,10-11,16,18,25H,7-9,12-14H2,(H,20,21,22)/t18-/m0/s1.
What are the key properties of 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one has a molecular weight of 340.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 94036422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).