N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C20H29N3O2 — CID 97061605

IUPACN-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESC[C@@H](NC(=O)C1CCC1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c1-15(21-19(24)16-8-6-9-16)20(25)22(2)18-12-7-13-23(14-18)17-10-4-3-5-11-17/h3-5,10-11,15-16,18H,6-9,12-14H2,1-2H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyZTIQNSKBWWASBY-CRAIPNDOSA-N
MW343.47 g/mol
LogP2.42
Rot. Bonds5

About N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 97061605) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID97061605
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESC[C@@H](NC(=O)C1CCC1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c1-15(21-19(24)16-8-6-9-16)20(25)22(2)18-12-7-13-23(14-18)17-10-4-3-5-11-17/h3-5,10-11,15-16,18H,6-9,12-14H2,1-2H3,(H,21,24)/t15-,18-/m1/s1
InChIKeyZTIQNSKBWWASBY-CRAIPNDOSA-N
XLogP2.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 97061605) is N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is C[C@@H](NC(=O)C1CCC1)C(=O)N(C)[C@@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is ZTIQNSKBWWASBY-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(21-19(24)16-8-6-9-16)20(25)22(2)18-12-7-13-23(14-18)17-10-4-3-5-11-17/h3-5,10-11,15-16,18H,6-9,12-14H2,1-2H3,(H,21,24)/t15-,18-/m1/s1.
What are the key properties of N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 97061605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).