4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide

C21H33N5O2 — CID 86831167

IUPAC4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N5O2/c1-17(2)22-20(27)16-24-12-14-26(15-13-24)21(28)23-18-8-10-25(11-9-18)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyGFYISMCTKODZGS-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.51
Rot. Bonds5

About 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide

4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 86831167) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID86831167
Molecular FormulaC21H33N5O2
Molecular Weight387.53 g/mol
Exact Mass387.26
IUPAC Name4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H33N5O2/c1-17(2)22-20(27)16-24-12-14-26(15-13-24)21(28)23-18-8-10-25(11-9-18)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,27)(H,23,28)
InChIKeyGFYISMCTKODZGS-UHFFFAOYSA-N
XLogP1.51
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 112820092
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 86912616

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide (CID 86831167) is 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide is CC(C)NC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is GFYISMCTKODZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-17(2)22-20(27)16-24-12-14-26(15-13-24)21(28)23-18-8-10-25(11-9-18)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3,(H,22,27)(H,23,28).
What are the key properties of 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide?
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 86831167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).