2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide

C17H29N5O — CID 53189293

IUPAC2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-4-18-17-19-8-5-15(21-17)22-9-6-14(7-10-22)11-16(23)20-12-13(2)3/h5,8,13-14H,4,6-7,9-12H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyBIZOQMDCVYLAMI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.29
Rot. Bonds7

About 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide

2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide (PubChem CID 53189293) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
PubChem CID53189293
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NCC(C)C)CC2)n1
InChIInChI=1S/C17H29N5O/c1-4-18-17-19-8-5-15(21-17)22-9-6-14(7-10-22)11-16(23)20-12-13(2)3/h5,8,13-14H,4,6-7,9-12H2,1-3H3,(H,20,23)(H,18,19,21)
InChIKeyBIZOQMDCVYLAMI-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gepirone
CID 55191
N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
Bmy 21502
CID 129930
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
1-(4-Chloropyrimidin-2-yl)piperidine-4-carboxamide
CID 46907729
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide (CID 53189293) is 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide is CCNc1nccc(N2CCC(CC(=O)NCC(C)C)CC2)n1.
What is the InChIKey of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is BIZOQMDCVYLAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-18-17-19-8-5-15(21-17)22-9-6-14(7-10-22)11-16(23)20-12-13(2)3/h5,8,13-14H,4,6-7,9-12H2,1-3H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide?
2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 53189293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).