ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate

C18H33N3O2 — CID 97337654

IUPACethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@H]2CCN(CC3CCCC3)C2)CC1
InChIInChI=1S/C18H33N3O2/c1-2-23-18(22)21-11-8-16(9-12-21)19-17-7-10-20(14-17)13-15-5-3-4-6-15/h15-17,19H,2-14H2,1H3/t17-/m0/s1
InChIKeyPEFBORFSDDAERD-KRWDZBQOSA-N
MW323.48 g/mol
LogP2.46
Rot. Bonds5

About ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate

ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 97337654) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
PubChem CID97337654
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Nameethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@H]2CCN(CC3CCCC3)C2)CC1
InChIInChI=1S/C18H33N3O2/c1-2-23-18(22)21-11-8-16(9-12-21)19-17-7-10-20(14-17)13-15-5-3-4-6-15/h15-17,19H,2-14H2,1H3/t17-/m0/s1
InChIKeyPEFBORFSDDAERD-KRWDZBQOSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-[[(1S)-1-cycloheptylethyl]amino]piperidine-1-carboxylate
CID 81390651
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[[N'-(4-cyclopentylbutyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111814752
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
CID 84593584
ethyl 4-[[(1R,3S)-3-ethylsulfanylcyclohexyl]amino]piperidine-1-carboxylate
CID 97056311
butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 151751894
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate (CID 97337654) is ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N[C@H]2CCN(CC3CCCC3)C2)CC1.
What is the InChIKey of ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is PEFBORFSDDAERD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-2-23-18(22)21-11-8-16(9-12-21)19-17-7-10-20(14-17)13-15-5-3-4-6-15/h15-17,19H,2-14H2,1H3/t17-/m0/s1.
What are the key properties of ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97337654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).