N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide

C20H31N5O2 — CID 166614963

IUPACN-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccncc3C)CC2)N1C
InChIInChI=1S/C20H31N5O2/c1-15-13-21-7-6-19(15)24-8-10-25(11-9-24)20(27)12-17-4-5-18(23(17)3)14-22-16(2)26/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,22,26)/t17-,18+/m0/s1
InChIKeyKAAXOUVMOUJZMK-ZWKOTPCHSA-N
MW373.50 g/mol
LogP1.03
Rot. Bonds5

About N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide

N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 166614963) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID166614963
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccncc3C)CC2)N1C
InChIInChI=1S/C20H31N5O2/c1-15-13-21-7-6-19(15)24-8-10-25(11-9-24)20(27)12-17-4-5-18(23(17)3)14-22-16(2)26/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,22,26)/t17-,18+/m0/s1
InChIKeyKAAXOUVMOUJZMK-ZWKOTPCHSA-N
XLogP1.03
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

formic acid;N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 171709600
N-[[(2R,5S)-1-methyl-5-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166623691
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-methylsulfanylethanone
CID 70756431
N-[[(2R,5S)-1-methyl-5-[2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide
CID 166616159
2-(4-chlorophenyl)-1-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]ethanone
CID 91768908
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 155938836
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70717959
2-(1,3-dihydroisoindol-2-yl)-1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone;formic acid
CID 154911934
formic acid;N-[[(2R,5S)-5-[2-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]-2-oxoethyl]-1-methylpyrrolidin-2-yl]methyl]acetamide
CID 171710571
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
N-methyl-2-[(2R,5S)-1-methyl-5-[[(2-pyridin-3-ylacetyl)amino]methyl]pyrrolidin-2-yl]acetamide
CID 165422911
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72925608

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide (CID 166614963) is N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)NC[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccncc3C)CC2)N1C.
What is the InChIKey of N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is KAAXOUVMOUJZMK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15-13-21-7-6-19(15)24-8-10-25(11-9-24)20(27)12-17-4-5-18(23(17)3)14-22-16(2)26/h6-7,13,17-18H,4-5,8-12,14H2,1-3H3,(H,22,26)/t17-,18+/m0/s1.
What are the key properties of N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide?
N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,5S)-1-methyl-5-[2-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 166614963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).