N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide

C18H24N2O2 — CID 120639173

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC2C3Cc4ccccc4C32)CCNCC1
InChIInChI=1S/C18H24N2O2/c1-22-11-18(6-8-19-9-7-18)17(21)20-16-14-10-12-4-2-3-5-13(12)15(14)16/h2-5,14-16,19H,6-11H2,1H3,(H,20,21)
InChIKeyAJFSTMCCNDKSTB-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.46
Rot. Bonds4

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120639173) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120639173
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC2C3Cc4ccccc4C32)CCNCC1
InChIInChI=1S/C18H24N2O2/c1-22-11-18(6-8-19-9-7-18)17(21)20-16-14-10-12-4-2-3-5-13(12)15(14)16/h2-5,14-16,19H,6-11H2,1H3,(H,20,21)
InChIKeyAJFSTMCCNDKSTB-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619174
4-(methoxymethyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120618086
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623702
N-(3,4-dihydro-2H-chromen-4-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617770
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(methylamino)acetamide
CID 119822552
4-(methoxymethyl)-N-(3-phenylcyclobutyl)piperidine-4-carboxamide;hydrochloride
CID 120630981
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methylamino)butanamide;hydrochloride
CID 119822539
4-[2-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]amino]-2-oxoethyl]benzoic acid
CID 129469957
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119822559
N-(9H-fluoren-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617190
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 107222234

Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 120639173) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NC2C3Cc4ccccc4C32)CCNCC1.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is AJFSTMCCNDKSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-11-18(6-8-19-9-7-18)17(21)20-16-14-10-12-4-2-3-5-13(12)15(14)16/h2-5,14-16,19H,6-11H2,1H3,(H,20,21).
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120639173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).