4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide

C22H34N4O2 — CID 122564788

IUPAC4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)NCC2(CN3CCCC3)CC2)CC1
InChIInChI=1S/C22H34N4O2/c1-28-20-7-3-2-6-19(20)16-24-12-14-26(15-13-24)21(27)23-17-22(8-9-22)18-25-10-4-5-11-25/h2-3,6-7H,4-5,8-18H2,1H3,(H,23,27)
InChIKeyYFTBFJHDGGBEMY-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.40
Rot. Bonds7

About 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide

4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide (PubChem CID 122564788) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide
PubChem CID122564788
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide
SMILESCOc1ccccc1CN1CCN(C(=O)NCC2(CN3CCCC3)CC2)CC1
InChIInChI=1S/C22H34N4O2/c1-28-20-7-3-2-6-19(20)16-24-12-14-26(15-13-24)21(27)23-17-22(8-9-22)18-25-10-4-5-11-25/h2-3,6-7H,4-5,8-18H2,1H3,(H,23,27)
InChIKeyYFTBFJHDGGBEMY-UHFFFAOYSA-N
XLogP2.40
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[[(3S)-1-ethylpiperidin-3-yl]methyl]-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 126431258
2-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
N-[(2-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38197349
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
N-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184642
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 60612311
1-benzyl-4-[(2-methoxyphenyl)methyl]-1,4-diazepane
CID 112808306
N-(3,4-difluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108051
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119876135

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide (CID 122564788) is 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide is COc1ccccc1CN1CCN(C(=O)NCC2(CN3CCCC3)CC2)CC1.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide?
The InChIKey is YFTBFJHDGGBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-28-20-7-3-2-6-19(20)16-24-12-14-26(15-13-24)21(27)23-17-22(8-9-22)18-25-10-4-5-11-25/h2-3,6-7H,4-5,8-18H2,1H3,(H,23,27).
What are the key properties of 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide?
4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 122564788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).