1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

C19H26N4O — CID 147772732

IUPAC1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](Nc2ncnc3c2C(CC(C)C)=CC3)C1
InChIInChI=1S/C19H26N4O/c1-4-17(24)23-9-5-6-15(11-23)22-19-18-14(10-13(2)3)7-8-16(18)20-12-21-19/h4,7,12-13,15H,1,5-6,8-11H2,2-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyHGGBIOSOFJPQBG-OAHLLOKOSA-N
MW326.44 g/mol
LogP3.05
Rot. Bonds5

About 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one (PubChem CID 147772732) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
PubChem CID147772732
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](Nc2ncnc3c2C(CC(C)C)=CC3)C1
InChIInChI=1S/C19H26N4O/c1-4-17(24)23-9-5-6-15(11-23)22-19-18-14(10-13(2)3)7-8-16(18)20-12-21-19/h4,7,12-13,15H,1,5-6,8-11H2,2-3H3,(H,20,21,22)/t15-/m1/s1
InChIKeyHGGBIOSOFJPQBG-OAHLLOKOSA-N
XLogP3.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
CID 175800552
1-[3-[(5-ethenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 123219802
ethyl 4-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 146361932
1-[3-[(5-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;methoxymethane
CID 153403468
1-[3-[[2-[3-ethyl-4-(2-methylpropyl)anilino]-5-fluoropyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 145095391
ethane;1-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 145095603
3-[4-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]propanenitrile
CID 118115903
N-(1-prop-2-enoylpiperidin-3-yl)acetamide
CID 60949044
4-amino-N-(4-bromocyclohexa-2,4-dien-1-yl)-6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 163946759
N-[4-amino-6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-5-yl]-N-(4-fluorophenyl)formamide
CID 141486974
4-amino-N-(3,4-dimethoxyphenyl)-6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidine-5-carboxamide
CID 152628745
1-[(3R)-3-[4-(methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 158861917

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one (CID 147772732) is 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](Nc2ncnc3c2C(CC(C)C)=CC3)C1.
What is the InChIKey of 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is HGGBIOSOFJPQBG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-17(24)23-9-5-6-15(11-23)22-19-18-14(10-13(2)3)7-8-16(18)20-12-21-19/h4,7,12-13,15H,1,5-6,8-11H2,2-3H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[5-(2-methylpropyl)-7H-cyclopenta[d]pyrimidin-4-yl]amino]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 147772732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).