N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide

C22H35N3O2 — CID 25306733

IUPACN-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2CC2)C1
InChIInChI=1S/C22H35N3O2/c1-23(2)13-14-25(22(26)19-10-11-19)16-18-7-6-12-24(15-18)17-20-8-4-5-9-21(20)27-3/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/t18-/m1/s1
InChIKeyDCGVXHZXTRFPOA-GOSISDBHSA-N
MW373.54 g/mol
LogP2.71
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide

N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 25306733) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID25306733
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2CC2)C1
InChIInChI=1S/C22H35N3O2/c1-23(2)13-14-25(22(26)19-10-11-19)16-18-7-6-12-24(15-18)17-20-8-4-5-9-21(20)27-3/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/t18-/m1/s1
InChIKeyDCGVXHZXTRFPOA-GOSISDBHSA-N
XLogP2.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25396069
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-4-methylbenzamide
CID 23723838
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 97271006
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 45197606
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42393604
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 42357318
N-[2-(dimethylamino)ethyl]-1-ethyl-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]piperidine-4-carboxamide
CID 42396155
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 42241946
N-(2-methoxyethyl)-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 26315195
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-piperidin-1-ylacetamide
CID 45207108
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-3-methoxy-4-methylbenzamide
CID 42380736
3-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide (CID 25306733) is N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide is COc1ccccc1CN1CCC[C@@H](CN(CCN(C)C)C(=O)C2CC2)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is DCGVXHZXTRFPOA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-23(2)13-14-25(22(26)19-10-11-19)16-18-7-6-12-24(15-18)17-20-8-4-5-9-21(20)27-3/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/t18-/m1/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide?
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 373.54 g/mol, XLogP of 2.71, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 25306733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).