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

C18H29N5O — CID 53189285

IUPACN-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NC3CCCC3)CC2)n1
InChIInChI=1S/C18H29N5O/c1-2-19-18-20-10-7-16(22-18)23-11-8-14(9-12-23)13-17(24)21-15-5-3-4-6-15/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyKCEVNZUORYRGKG-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.57
Rot. Bonds6

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

N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189285) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189285
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCNc1nccc(N2CCC(CC(=O)NC3CCCC3)CC2)n1
InChIInChI=1S/C18H29N5O/c1-2-19-18-20-10-7-16(22-18)23-11-8-14(9-12-23)13-17(24)21-15-5-3-4-6-15/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyKCEVNZUORYRGKG-UHFFFAOYSA-N
XLogP2.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189285) is N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CCNc1nccc(N2CCC(CC(=O)NC3CCCC3)CC2)n1.
What is the InChIKey of N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is KCEVNZUORYRGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-2-19-18-20-10-7-16(22-18)23-11-8-14(9-12-23)13-17(24)21-15-5-3-4-6-15/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H,21,24)(H,19,20,22).
What are the key properties of N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1-[2-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).