(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide

C19H25N5O — CID 96525935

IUPAC(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
SMILESCCc1cc(N2CCC(N[C@H](C(N)=O)c3ccccc3)CC2)ncn1
InChIInChI=1S/C19H25N5O/c1-2-15-12-17(22-13-21-15)24-10-8-16(9-11-24)23-18(19(20)25)14-6-4-3-5-7-14/h3-7,12-13,16,18,23H,2,8-11H2,1H3,(H2,20,25)/t18-/m0/s1
InChIKeyDLAGCHAABPTNHR-SFHVURJKSA-N
MW339.44 g/mol
LogP1.82
Rot. Bonds6

About (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide

(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide (PubChem CID 96525935) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
PubChem CID96525935
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
SMILESCCc1cc(N2CCC(N[C@H](C(N)=O)c3ccccc3)CC2)ncn1
InChIInChI=1S/C19H25N5O/c1-2-15-12-17(22-13-21-15)24-10-8-16(9-11-24)23-18(19(20)25)14-6-4-3-5-7-14/h3-7,12-13,16,18,23H,2,8-11H2,1H3,(H2,20,25)/t18-/m0/s1
InChIKeyDLAGCHAABPTNHR-SFHVURJKSA-N
XLogP1.82
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
(2R)-2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-2-phenylacetamide
CID 98761227
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
3-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-[(2-methoxyphenyl)methyl]-1-methylurea
CID 126794942
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
CID 154785490
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 139008101
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide (CID 96525935) is (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide is CCc1cc(N2CCC(N[C@H](C(N)=O)c3ccccc3)CC2)ncn1.
What is the InChIKey of (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide?
The InChIKey is DLAGCHAABPTNHR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-15-12-17(22-13-21-15)24-10-8-16(9-11-24)23-18(19(20)25)14-6-4-3-5-7-14/h3-7,12-13,16,18,23H,2,8-11H2,1H3,(H2,20,25)/t18-/m0/s1.
What are the key properties of (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide?
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide has a molecular weight of 339.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide is sourced from PubChem (CID 96525935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).