methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate

C14H26N2O2 — CID 112543409

IUPACmethyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC)CN(CC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-4-12-7-13(15-14(17)18-2)10-16(9-12)8-11-5-6-11/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyCKFURCZYGZOVMU-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds5

About methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate

methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate (PubChem CID 112543409) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
PubChem CID112543409
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC)CN(CC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-4-12-7-13(15-14(17)18-2)10-16(9-12)8-11-5-6-11/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyCKFURCZYGZOVMU-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
N,1-bis(cyclopropylmethyl)-5-propylpiperidin-3-amine
CID 83996677
methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543607
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate (CID 112543409) is methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate is CCCC1CC(NC(=O)OC)CN(CC2CC2)C1.
What is the InChIKey of methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate?
The InChIKey is CKFURCZYGZOVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-4-12-7-13(15-14(17)18-2)10-16(9-12)8-11-5-6-11/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate?
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).