N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide

C18H30N6O — CID 75371288

IUPACN-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2nccc(N3CCCC3)n2)CC1
InChIInChI=1S/C18H30N6O/c1-14(2)20-17(25)15(3)22-10-12-24(13-11-22)18-19-7-6-16(21-18)23-8-4-5-9-23/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,20,25)
InChIKeyJOEXEIQOMVRTAW-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.11
Rot. Bonds5

About N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide

N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide (PubChem CID 75371288) has the molecular formula C18H30N6O and a molecular weight of 346.48 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide
PubChem CID75371288
Molecular FormulaC18H30N6O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC NameN-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2nccc(N3CCCC3)n2)CC1
InChIInChI=1S/C18H30N6O/c1-14(2)20-17(25)15(3)22-10-12-24(13-11-22)18-19-7-6-16(21-18)23-8-4-5-9-23/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,20,25)
InChIKeyJOEXEIQOMVRTAW-UHFFFAOYSA-N
XLogP1.11
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 172892794
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
CID 155975244
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921370
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921957
1-[4-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888860
1-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112888441
4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
CID 146132676

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide (CID 75371288) is N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide is CC(C)NC(=O)C(C)N1CCN(c2nccc(N3CCCC3)n2)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide?
The InChIKey is JOEXEIQOMVRTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O/c1-14(2)20-17(25)15(3)22-10-12-24(13-11-22)18-19-7-6-16(21-18)23-8-4-5-9-23/h6-7,14-15H,4-5,8-13H2,1-3H3,(H,20,25).
What are the key properties of N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide?
N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 75371288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).