ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate

C15H28N2O3 — CID 112544061

IUPACethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCCO)CN(CC2CC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-20-15(19)16-14-8-13(4-3-7-18)10-17(11-14)9-12-5-6-12/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyJGOFATQLPIBIPM-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.61
Rot. Bonds7

About ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate

ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate (PubChem CID 112544061) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
PubChem CID112544061
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CCCO)CN(CC2CC2)C1
InChIInChI=1S/C15H28N2O3/c1-2-20-15(19)16-14-8-13(4-3-7-18)10-17(11-14)9-12-5-6-12/h12-14,18H,2-11H2,1H3,(H,16,19)
InChIKeyJGOFATQLPIBIPM-UHFFFAOYSA-N
XLogP1.61
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate (CID 112544061) is ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CC(CCCO)CN(CC2CC2)C1.
What is the InChIKey of ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
The InChIKey is JGOFATQLPIBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-2-20-15(19)16-14-8-13(4-3-7-18)10-17(11-14)9-12-5-6-12/h12-14,18H,2-11H2,1H3,(H,16,19).
What are the key properties of ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate?
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).