3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

C20H31N3O2 — CID 119953909

IUPAC3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESNC(CC(=O)NCC1(N2CCCCC2)CCOCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c21-18(17-7-3-1-4-8-17)15-19(24)22-16-20(9-13-25-14-10-20)23-11-5-2-6-12-23/h1,3-4,7-8,18H,2,5-6,9-16,21H2,(H,22,24)
InChIKeyLBMVBGKPKQRPHR-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.23
Rot. Bonds6

About 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (PubChem CID 119953909) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
PubChem CID119953909
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESNC(CC(=O)NCC1(N2CCCCC2)CCOCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c21-18(17-7-3-1-4-8-17)15-19(24)22-16-20(9-13-25-14-10-20)23-11-5-2-6-12-23/h1,3-4,7-8,18H,2,5-6,9-16,21H2,(H,22,24)
InChIKeyLBMVBGKPKQRPHR-UHFFFAOYSA-N
XLogP2.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (CID 119953909) is 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is NC(CC(=O)NCC1(N2CCCCC2)CCOCC1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The InChIKey is LBMVBGKPKQRPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c21-18(17-7-3-1-4-8-17)15-19(24)22-16-20(9-13-25-14-10-20)23-11-5-2-6-12-23/h1,3-4,7-8,18H,2,5-6,9-16,21H2,(H,22,24).
What are the key properties of 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 119953909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).