methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate

C17H26N4O3 — CID 96573082

IUPACmethyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C17H26N4O3/c1-12(19-17(23)24-2)16(22)20-8-5-14(6-9-20)15-18-7-10-21(15)11-13-3-4-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyIUXWONFLBVUENO-LBPRGKRZSA-N
MW334.42 g/mol
LogP1.74
Rot. Bonds5

About methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate

methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate (PubChem CID 96573082) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
PubChem CID96573082
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namemethyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)N[C@@H](C)C(=O)N1CCC(c2nccn2CC2CC2)CC1
InChIInChI=1S/C17H26N4O3/c1-12(19-17(23)24-2)16(22)20-8-5-14(6-9-20)15-18-7-10-21(15)11-13-3-4-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyIUXWONFLBVUENO-LBPRGKRZSA-N
XLogP1.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate (CID 96573082) is methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate is COC(=O)N[C@@H](C)C(=O)N1CCC(c2nccn2CC2CC2)CC1.
What is the InChIKey of methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
The InChIKey is IUXWONFLBVUENO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(19-17(23)24-2)16(22)20-8-5-14(6-9-20)15-18-7-10-21(15)11-13-3-4-13/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate?
methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 96573082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).