N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide

C19H28N4O3 — CID 126426070

IUPACN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
SMILESCN1CC[C@H](CNC(=O)N2CCN(C(=O)COc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-21-8-7-16(14-21)13-20-19(25)23-11-9-22(10-12-23)18(24)15-26-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,20,25)/t16-/m1/s1
InChIKeyGOBDLOKDQNXXKI-MRXNPFEDSA-N
MW360.46 g/mol
LogP0.87
Rot. Bonds5

About N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide

N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide (PubChem CID 126426070) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
PubChem CID126426070
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide
SMILESCN1CC[C@H](CNC(=O)N2CCN(C(=O)COc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-21-8-7-16(14-21)13-20-19(25)23-11-9-22(10-12-23)18(24)15-26-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,20,25)/t16-/m1/s1
InChIKeyGOBDLOKDQNXXKI-MRXNPFEDSA-N
XLogP0.87
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
CID 95212752
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 56783112
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
CID 110707763
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
(E)-3-(4-methylsulfanylphenyl)-N-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71806794

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide?
The IUPAC name of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide (CID 126426070) is N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide is CN1CC[C@H](CNC(=O)N2CCN(C(=O)COc3ccccc3)CC2)C1.
What is the InChIKey of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide?
The InChIKey is GOBDLOKDQNXXKI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21-8-7-16(14-21)13-20-19(25)23-11-9-22(10-12-23)18(24)15-26-17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3,(H,20,25)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide?
N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-4-(2-phenoxyacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 126426070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).