N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C20H28ClN3O2 — CID 45251148

IUPACN-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-15(25)22-12-20(26)24-10-7-17(8-11-24)18-6-9-23(14-18)13-16-2-4-19(21)5-3-16/h2-5,17-18H,6-14H2,1H3,(H,22,25)
InChIKeyNQRXMBBVGIDZGU-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.54
Rot. Bonds5

About N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 45251148) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID45251148
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-15(25)22-12-20(26)24-10-7-17(8-11-24)18-6-9-23(14-18)13-16-2-4-19(21)5-3-16/h2-5,17-18H,6-14H2,1H3,(H,22,25)
InChIKeyNQRXMBBVGIDZGU-UHFFFAOYSA-N
XLogP2.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R)-3-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 42214232
N-[4-[[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 45183025
[4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25305875
4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 95557007
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]propan-1-one
CID 83980778
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 60712509
2-[(4-chlorophenyl)methyl]-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one
CID 134787823
N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31196088
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 45251148) is N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(C2CCN(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is NQRXMBBVGIDZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-15(25)22-12-20(26)24-10-7-17(8-11-24)18-6-9-23(14-18)13-16-2-4-19(21)5-3-16/h2-5,17-18H,6-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 377.92 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 45251148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).