N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide

C16H26N4O2 — CID 125435961

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCN(C(=O)N[C@H](c2nccn2C)C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-19-10-7-17-15(19)14(13-3-4-13)18-16(21)20-8-5-12(6-9-20)11-22-2/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyDEAQMWCXBZCMEV-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.94
Rot. Bonds5

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide (PubChem CID 125435961) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide
PubChem CID125435961
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide
SMILESCOCC1CCN(C(=O)N[C@H](c2nccn2C)C2CC2)CC1
InChIInChI=1S/C16H26N4O2/c1-19-10-7-17-15(19)14(13-3-4-13)18-16(21)20-8-5-12(6-9-20)11-22-2/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,18,21)/t14-/m0/s1
InChIKeyDEAQMWCXBZCMEV-AWEZNQCLSA-N
XLogP1.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide (CID 125435961) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide is COCC1CCN(C(=O)N[C@H](c2nccn2C)C2CC2)CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide?
The InChIKey is DEAQMWCXBZCMEV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-10-7-17-15(19)14(13-3-4-13)18-16(21)20-8-5-12(6-9-20)11-22-2/h7,10,12-14H,3-6,8-9,11H2,1-2H3,(H,18,21)/t14-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 125435961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).