N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

C19H31N5O — CID 53174367

IUPACN-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCNc1cc(N2CCCC(CCC(=O)NC3CCCC3)C2)ncn1
InChIInChI=1S/C19H31N5O/c1-2-20-17-12-18(22-14-21-17)24-11-5-6-15(13-24)9-10-19(25)23-16-7-3-4-8-16/h12,14-16H,2-11,13H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyJXINBEJTWJOVHR-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.96
Rot. Bonds7

About N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide

N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (PubChem CID 53174367) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
PubChem CID53174367
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
SMILESCCNc1cc(N2CCCC(CCC(=O)NC3CCCC3)C2)ncn1
InChIInChI=1S/C19H31N5O/c1-2-20-17-12-18(22-14-21-17)24-11-5-6-15(13-24)9-10-19(25)23-16-7-3-4-8-16/h12,14-16H,2-11,13H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyJXINBEJTWJOVHR-UHFFFAOYSA-N
XLogP2.96
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide (CID 53174367) is N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is CCNc1cc(N2CCCC(CCC(=O)NC3CCCC3)C2)ncn1.
What is the InChIKey of N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
The InChIKey is JXINBEJTWJOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-2-20-17-12-18(22-14-21-17)24-11-5-6-15(13-24)9-10-19(25)23-16-7-3-4-8-16/h12,14-16H,2-11,13H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide?
N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide is sourced from PubChem (CID 53174367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).