N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide

C18H29N5O — CID 84594920

IUPACN-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCc1cnc(N2CCN(C(C)C(=O)NC3CCCC3)CC2)nc1C
InChIInChI=1S/C18H29N5O/c1-13-12-19-18(20-14(13)2)23-10-8-22(9-11-23)15(3)17(24)21-16-6-4-5-7-16/h12,15-16H,4-11H2,1-3H3,(H,21,24)
InChIKeyPTXQTRWZTYTSCD-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.66
Rot. Bonds4

About N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide

N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide (PubChem CID 84594920) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide
PubChem CID84594920
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCc1cnc(N2CCN(C(C)C(=O)NC3CCCC3)CC2)nc1C
InChIInChI=1S/C18H29N5O/c1-13-12-19-18(20-14(13)2)23-10-8-22(9-11-23)15(3)17(24)21-16-6-4-5-7-16/h12,15-16H,4-11H2,1-3H3,(H,21,24)
InChIKeyPTXQTRWZTYTSCD-UHFFFAOYSA-N
XLogP1.66
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide (CID 84594920) is N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide is Cc1cnc(N2CCN(C(C)C(=O)NC3CCCC3)CC2)nc1C.
What is the InChIKey of N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is PTXQTRWZTYTSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-13-12-19-18(20-14(13)2)23-10-8-22(9-11-23)15(3)17(24)21-16-6-4-5-7-16/h12,15-16H,4-11H2,1-3H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide?
N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 331.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-(4,5-dimethylpyrimidin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 84594920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).