N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide

C20H29N3O2 — CID 95632729

IUPACN-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESC[C@@H]1C[C@H](N(C)C(=O)CNC(=O)C2CC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-15-12-18(10-11-23(15)14-16-6-4-3-5-7-16)22(2)19(24)13-21-20(25)17-8-9-17/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,25)/t15-,18-/m1/s1
InChIKeyYHJGGMAIUDBJCB-CRAIPNDOSA-N
MW343.47 g/mol
LogP2.02
Rot. Bonds6

About N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 95632729) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID95632729
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
SMILESC[C@@H]1C[C@H](N(C)C(=O)CNC(=O)C2CC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H29N3O2/c1-15-12-18(10-11-23(15)14-16-6-4-3-5-7-16)22(2)19(24)13-21-20(25)17-8-9-17/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,25)/t15-,18-/m1/s1
InChIKeyYHJGGMAIUDBJCB-CRAIPNDOSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide (CID 95632729) is N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide is C[C@@H]1C[C@H](N(C)C(=O)CNC(=O)C2CC2)CCN1Cc1ccccc1.
What is the InChIKey of N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is YHJGGMAIUDBJCB-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-12-18(10-11-23(15)14-16-6-4-3-5-7-16)22(2)19(24)13-21-20(25)17-8-9-17/h3-7,15,17-18H,8-14H2,1-2H3,(H,21,25)/t15-,18-/m1/s1.
What are the key properties of N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 95632729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).