ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate

C18H34N4O3 — CID 87005476

IUPACethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)NCC(C)N2CCCC(C)C2)C1
InChIInChI=1S/C18H34N4O3/c1-4-25-18(24)20-16-8-6-10-22(13-16)17(23)19-11-15(3)21-9-5-7-14(2)12-21/h14-16H,4-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyIEVDNGYVHWKOFO-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.03
Rot. Bonds5

About ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate (PubChem CID 87005476) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate
PubChem CID87005476
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Nameethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)NCC(C)N2CCCC(C)C2)C1
InChIInChI=1S/C18H34N4O3/c1-4-25-18(24)20-16-8-6-10-22(13-16)17(23)19-11-15(3)21-9-5-7-14(2)12-21/h14-16H,4-13H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyIEVDNGYVHWKOFO-UHFFFAOYSA-N
XLogP2.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[N'-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327163
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 98752850
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94099206
5-methyl-1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122171
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
CID 94648216
4-[2-(methylamino)-2-oxoethyl]-N-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 122144140
ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate
CID 94638446

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate (CID 87005476) is ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)NCC(C)N2CCCC(C)C2)C1.
What is the InChIKey of ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate?
The InChIKey is IEVDNGYVHWKOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3/c1-4-25-18(24)20-16-8-6-10-22(13-16)17(23)19-11-15(3)21-9-5-7-14(2)12-21/h14-16H,4-13H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate has a molecular weight of 354.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(3-methylpiperidin-1-yl)propylcarbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 87005476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).