N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide

C17H32N2O2 — CID 124683923

IUPACN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide
SMILESCCO[C@H]1C[C@H](N(C)C(=O)CCC2CCNCC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-21-15-12-14(17(15,2)3)19(4)16(20)7-6-13-8-10-18-11-9-13/h13-15,18H,5-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyNKPJJJQCPYFRRW-GJZGRUSLSA-N
MW296.45 g/mol
LogP2.43
Rot. Bonds6

About N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide

N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide (PubChem CID 124683923) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide
PubChem CID124683923
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide
SMILESCCO[C@H]1C[C@H](N(C)C(=O)CCC2CCNCC2)C1(C)C
InChIInChI=1S/C17H32N2O2/c1-5-21-15-12-14(17(15,2)3)19(4)16(20)7-6-13-8-10-18-11-9-13/h13-15,18H,5-12H2,1-4H3/t14-,15-/m0/s1
InChIKeyNKPJJJQCPYFRRW-GJZGRUSLSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-piperidin-4-ylpropanamide
CID 103876547
2-cyclopentyl-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylacetamide
CID 102557925
(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 125118445
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683338
3-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methylbutanamide;hydrochloride
CID 119799255
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62212379
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
N-ethyl-3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55048264
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide (CID 124683923) is N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide is CCO[C@H]1C[C@H](N(C)C(=O)CCC2CCNCC2)C1(C)C.
What is the InChIKey of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide?
The InChIKey is NKPJJJQCPYFRRW-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-21-15-12-14(17(15,2)3)19(4)16(20)7-6-13-8-10-18-11-9-13/h13-15,18H,5-12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide?
N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide has a molecular weight of 296.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 124683923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).