ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate

C21H32N4O3 — CID 55472237

IUPACethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-2-28-21(27)25-14-10-19(11-15-25)23-20(26)22-18-8-12-24(13-9-18)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H2,22,23,26)
InChIKeyBZJMXDHQPNRNLY-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.57
Rot. Bonds5

About ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 55472237) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
PubChem CID55472237
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Nameethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N4O3/c1-2-28-21(27)25-14-10-19(11-15-25)23-20(26)22-18-8-12-24(13-9-18)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H2,22,23,26)
InChIKeyBZJMXDHQPNRNLY-UHFFFAOYSA-N
XLogP2.57
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
1-(1-benzylpiperidin-4-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890906
ethyl 4-[[2-(4-benzylpiperazin-1-yl)-3,4-dioxocyclobuten-1-yl]amino]piperidine-1-carboxylate
CID 46260396
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
ethyl 4-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 60547220
methyl (2S,3R)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoate
CID 7529321
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
ethyl 4-[(N-benzyl-N'-methylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 111328198
2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoic acid
CID 5192686
ethyl 4-[[2-(3-phenylpropylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003707
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate (CID 55472237) is ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is BZJMXDHQPNRNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-28-21(27)25-14-10-19(11-15-25)23-20(26)22-18-8-12-24(13-9-18)16-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3,(H2,22,23,26).
What are the key properties of ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 55472237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).