N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride

C21H33ClN4O2 — CID 120967808

IUPACN-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1CN1CCC(N2CCNCC2)C1)NCC1CC1
InChIInChI=1S/C21H32N4O2.ClH/c26-21(23-13-17-5-6-17)16-27-20-4-2-1-3-18(20)14-24-10-7-19(15-24)25-11-8-22-9-12-25;/h1-4,17,19,22H,5-16H2,(H,23,26);1H
InChIKeyNNKHTUWFUXVOAK-UHFFFAOYSA-N
MW408.97 g/mol
LogP1.49
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride

N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride (PubChem CID 120967808) has the molecular formula C21H33ClN4O2 and a molecular weight of 408.97 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride
PubChem CID120967808
Molecular FormulaC21H33ClN4O2
Molecular Weight408.97 g/mol
Exact Mass408.23
IUPAC NameN-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride
SMILESCl.O=C(COc1ccccc1CN1CCC(N2CCNCC2)C1)NCC1CC1
InChIInChI=1S/C21H32N4O2.ClH/c26-21(23-13-17-5-6-17)16-27-20-4-2-1-3-18(20)14-24-10-7-19(15-24)25-11-8-22-9-12-25;/h1-4,17,19,22H,5-16H2,(H,23,26);1H
InChIKeyNNKHTUWFUXVOAK-UHFFFAOYSA-N
XLogP1.49
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.97
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968337
2-[2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77089620
N-ethyl-2-[2-methoxy-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide
CID 120968045
2-[2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenoxy]acetic acid
CID 56718402
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 43277250
2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967910
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
N-[(1-ethylpiperidin-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 51092761
2-(2-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997580
N-[[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723842
2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 108932815

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride (CID 120967808) is N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride is Cl.O=C(COc1ccccc1CN1CCC(N2CCNCC2)C1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride?
The InChIKey is NNKHTUWFUXVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.ClH/c26-21(23-13-17-5-6-17)16-27-20-4-2-1-3-18(20)14-24-10-7-19(15-24)25-11-8-22-9-12-25;/h1-4,17,19,22H,5-16H2,(H,23,26);1H.
What are the key properties of N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride?
N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride has a molecular weight of 408.97 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride is sourced from PubChem (CID 120967808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).