ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate

C15H28N2O2 — CID 112544052

IUPACethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C(C)C)CN(CC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-15(18)16-14-7-13(11(2)3)9-17(10-14)8-12-5-6-12/h11-14H,4-10H2,1-3H3,(H,16,18)
InChIKeyXGHBSZGRZUNLMB-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.49
Rot. Bonds5

About ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate

ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate (PubChem CID 112544052) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
PubChem CID112544052
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(C(C)C)CN(CC2CC2)C1
InChIInChI=1S/C15H28N2O2/c1-4-19-15(18)16-14-7-13(11(2)3)9-17(10-14)8-12-5-6-12/h11-14H,4-10H2,1-3H3,(H,16,18)
InChIKeyXGHBSZGRZUNLMB-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate (CID 112544052) is ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate is CCOC(=O)NC1CC(C(C)C)CN(CC2CC2)C1.
What is the InChIKey of ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate?
The InChIKey is XGHBSZGRZUNLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-19-15(18)16-14-7-13(11(2)3)9-17(10-14)8-12-5-6-12/h11-14H,4-10H2,1-3H3,(H,16,18).
What are the key properties of ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate?
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).