ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate

C17H30N2O2 — CID 83999858

IUPACethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2)CC(NC2CCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-21-17(20)19-11-14(9-13-7-8-13)10-16(12-19)18-15-5-3-4-6-15/h13-16,18H,2-12H2,1H3
InChIKeyOUFQKWSMIDDDKG-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.17
Rot. Bonds5

About ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate

ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate (PubChem CID 83999858) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
PubChem CID83999858
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2)CC(NC2CCCC2)C1
InChIInChI=1S/C17H30N2O2/c1-2-21-17(20)19-11-14(9-13-7-8-13)10-16(12-19)18-15-5-3-4-6-15/h13-16,18H,2-12H2,1H3
InChIKeyOUFQKWSMIDDDKG-UHFFFAOYSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83989098
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83999929
3-[3-(cyclohexylamino)-5-(cyclopropylmethyl)piperidin-1-yl]propanoic acid
CID 83999520
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate (CID 83999858) is ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate is CCOC(=O)N1CC(CC2CC2)CC(NC2CCCC2)C1.
What is the InChIKey of ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate?
The InChIKey is OUFQKWSMIDDDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-21-17(20)19-11-14(9-13-7-8-13)10-16(12-19)18-15-5-3-4-6-15/h13-16,18H,2-12H2,1H3.
What are the key properties of ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate?
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate has a molecular weight of 294.44 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 83999858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).