N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C18H30N6O2 — CID 118782539

IUPACN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H30N6O2/c1-14(2)24-11-15(16(12-24)26-3)21-17(25)13-22-7-9-23(10-8-22)18-19-5-4-6-20-18/h4-6,14-16H,7-13H2,1-3H3,(H,21,25)/t15-,16-/m0/s1
InChIKeyZGERBEDHIQHFQJ-HOTGVXAUSA-N
MW362.48 g/mol
LogP-0.18
Rot. Bonds6

About N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 118782539) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID118782539
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H30N6O2/c1-14(2)24-11-15(16(12-24)26-3)21-17(25)13-22-7-9-23(10-8-22)18-19-5-4-6-20-18/h4-6,14-16H,7-13H2,1-3H3,(H,21,25)/t15-,16-/m0/s1
InChIKeyZGERBEDHIQHFQJ-HOTGVXAUSA-N
XLogP-0.18
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8542887
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 11929363
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 91767847
N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 27104437
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetohydrazide
CID 63569943
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8543197
N-(cyclopropylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 32847121
2-(4-methylpiperazin-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 140936797
N-(4-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6465380
1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea
CID 133112084
N-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 118782539) is N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is ZGERBEDHIQHFQJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-14(2)24-11-15(16(12-24)26-3)21-17(25)13-22-7-9-23(10-8-22)18-19-5-4-6-20-18/h4-6,14-16H,7-13H2,1-3H3,(H,21,25)/t15-,16-/m0/s1.
What are the key properties of N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 362.48 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 118782539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).