ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate

C20H30N4O3 — CID 42533744

IUPACethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H30N4O3/c1-2-27-19(25)15-21-20(26)24-10-6-9-18(16-24)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyYIJQZCLNVHGMHZ-SFHVURJKSA-N
MW374.49 g/mol
LogP1.55
Rot. Bonds5

About ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate

ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate (PubChem CID 42533744) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
PubChem CID42533744
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nameethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H30N4O3/c1-2-27-19(25)15-21-20(26)24-10-6-9-18(16-24)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26)/t18-/m0/s1
InChIKeyYIJQZCLNVHGMHZ-SFHVURJKSA-N
XLogP1.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533742
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
ethyl 4-(4-phenylpiperazin-1-yl)piperidine-1-carboxylate
CID 3469280
ethyl 2-[(3-aminopiperidine-1-carbonyl)amino]acetate
CID 61403470
ethyl 2-[[(3S)-3-[(benzylsulfonylamino)methyl]piperidine-1-carbonyl]amino]acetate
CID 42567032
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 138038376
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 25274910
methyl 3-[3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]benzoate
CID 74229736
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate (CID 42533744) is ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate?
The InChIKey is YIJQZCLNVHGMHZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-2-27-19(25)15-21-20(26)24-10-6-9-18(16-24)23-13-11-22(12-14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,21,26)/t18-/m0/s1.
What are the key properties of ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate?
ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate has a molecular weight of 374.49 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 42533744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).