2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide

C20H31N3O2 — CID 77080730

IUPAC2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)C1CCNCC1
InChIInChI=1S/C20H31N3O2/c1-23(17-10-12-21-13-11-17)14-20(24)22-18-8-5-9-19(18)25-15-16-6-3-2-4-7-16/h2-4,6-7,17-19,21H,5,8-15H2,1H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyYVACCHSTVPTKHC-RTBURBONSA-N
MW345.49 g/mol
LogP1.92
Rot. Bonds7

About 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide

2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide (PubChem CID 77080730) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
PubChem CID77080730
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)C1CCNCC1
InChIInChI=1S/C20H31N3O2/c1-23(17-10-12-21-13-11-17)14-20(24)22-18-8-5-9-19(18)25-15-16-6-3-2-4-7-16/h2-4,6-7,17-19,21H,5,8-15H2,1H3,(H,22,24)/t18-,19-/m1/s1
InChIKeyYVACCHSTVPTKHC-RTBURBONSA-N
XLogP1.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide (CID 77080730) is 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide is CN(CC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide?
The InChIKey is YVACCHSTVPTKHC-RTBURBONSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-23(17-10-12-21-13-11-17)14-20(24)22-18-8-5-9-19(18)25-15-16-6-3-2-4-7-16/h2-4,6-7,17-19,21H,5,8-15H2,1H3,(H,22,24)/t18-,19-/m1/s1.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide?
2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-N-[(1R,2R)-2-phenylmethoxycyclopentyl]acetamide is sourced from PubChem (CID 77080730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).