4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide

C19H24N4O2S — CID 122555886

IUPAC4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESNC(=O)CCN1CCN(C(=O)NC(c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C19H24N4O2S/c20-17(24)8-9-22-10-12-23(13-11-22)19(25)21-18(16-7-4-14-26-16)15-5-2-1-3-6-15/h1-7,14,18H,8-13H2,(H2,20,24)(H,21,25)
InChIKeyHKURHSGASNATAB-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.04
Rot. Bonds6

About 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide

4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 122555886) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide
PubChem CID122555886
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide
SMILESNC(=O)CCN1CCN(C(=O)NC(c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C19H24N4O2S/c20-17(24)8-9-22-10-12-23(13-11-22)19(25)21-18(16-7-4-14-26-16)15-5-2-1-3-6-15/h1-7,14,18H,8-13H2,(H2,20,24)(H,21,25)
InChIKeyHKURHSGASNATAB-UHFFFAOYSA-N
XLogP2.04
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 8864417
1-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]piperidine-4-carboxamide
CID 8557507
2-[4-[2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8863950
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866542
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
N-[(R)-phenyl(thiophen-2-yl)methyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 125446395
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
ethyl 4-(benzhydrylcarbamoyl)piperazine-1-carboxylate
CID 108867581
N-[phenyl(thiophen-2-yl)methyl]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 86895496
N-benzhydryl-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
CID 24794972

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide (CID 122555886) is 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide is NC(=O)CCN1CCN(C(=O)NC(c2ccccc2)c2cccs2)CC1.
What is the InChIKey of 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is HKURHSGASNATAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c20-17(24)8-9-22-10-12-23(13-11-22)19(25)21-18(16-7-4-14-26-16)15-5-2-1-3-6-15/h1-7,14,18H,8-13H2,(H2,20,24)(H,21,25).
What are the key properties of 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide?
4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-oxopropyl)-N-[phenyl(thiophen-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 122555886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).