1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

C15H26N4O — CID 72852353

IUPAC1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCC[C@H]1CN(C(=O)CCn2ccnc2CC)C[C@@H]1N
InChIInChI=1S/C15H26N4O/c1-3-5-12-10-19(11-13(12)16)15(20)6-8-18-9-7-17-14(18)4-2/h7,9,12-13H,3-6,8,10-11,16H2,1-2H3/t12-,13-/m0/s1
InChIKeyDAHWPHUKJYHEPP-STQMWFEESA-N
MW278.40 g/mol
LogP1.42
Rot. Bonds6

About 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (PubChem CID 72852353) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
PubChem CID72852353
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCC[C@H]1CN(C(=O)CCn2ccnc2CC)C[C@@H]1N
InChIInChI=1S/C15H26N4O/c1-3-5-12-10-19(11-13(12)16)15(20)6-8-18-9-7-17-14(18)4-2/h7,9,12-13H,3-6,8,10-11,16H2,1-2H3/t12-,13-/m0/s1
InChIKeyDAHWPHUKJYHEPP-STQMWFEESA-N
XLogP1.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1h-Imidazol-1-Yl)-N-(Trans-4-Methylcyclohexyl)acetamide
CID 36795531
(S)-3-(3-(1H-imidazol-1-yl)propyl)-5-isobutylimidazolidine-2,4-dione
CID 7068386
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
4-[1-(cyclopropylmethyl)-1H-imidazol-2-yl]-1-[2-methyl-3-(1-pyrrolidinyl)propanoyl]piperidine
CID 70752396
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]piperidine
CID 70765708
1-[2-(dimethylamino)ethyl]-4-{[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-2-pyrrolidinone
CID 70777043
N,3-bis[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 71915621
N-[rel-(3R,4S)-1-cyclopentyl-4-cyclopropyl-3-pyrrolidinyl]-4-(1H-imidazol-1-yl)butanamide dihydrochloride
CID 72852975
2-[2-[[(3R,4S)-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]amino]-2-oxoethoxy]acetamide
CID 72855409
N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72866493
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1-pyrrolidinylcarbonyl)piperidine
CID 72889477

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (CID 72852353) is 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is CCC[C@H]1CN(C(=O)CCn2ccnc2CC)C[C@@H]1N.
What is the InChIKey of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The InChIKey is DAHWPHUKJYHEPP-STQMWFEESA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-5-12-10-19(11-13(12)16)15(20)6-8-18-9-7-17-14(18)4-2/h7,9,12-13H,3-6,8,10-11,16H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 72852353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).