[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride

C19H32ClN5O4 — CID 121452432

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
SMILESCN(C)C(=O)COC(=O)Cn1ccnc1CCC(=O)N1CCC(N(C)C)CC1.Cl
InChIInChI=1S/C19H31N5O4.ClH/c1-21(2)15-7-10-23(11-8-15)17(25)6-5-16-20-9-12-24(16)13-19(27)28-14-18(26)22(3)4;/h9,12,15H,5-8,10-11,13-14H2,1-4H3;1H
InChIKeyMJZFRDBIURJNEF-UHFFFAOYSA-N
MW429.95 g/mol
LogP0.42
Rot. Bonds8

About [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride

[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride (PubChem CID 121452432) has the molecular formula C19H32ClN5O4 and a molecular weight of 429.95 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
PubChem CID121452432
Molecular FormulaC19H32ClN5O4
Molecular Weight429.95 g/mol
Exact Mass429.21
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
SMILESCN(C)C(=O)COC(=O)Cn1ccnc1CCC(=O)N1CCC(N(C)C)CC1.Cl
InChIInChI=1S/C19H31N5O4.ClH/c1-21(2)15-7-10-23(11-8-15)17(25)6-5-16-20-9-12-24(16)13-19(27)28-14-18(26)22(3)4;/h9,12,15H,5-8,10-11,13-14H2,1-4H3;1H
InChIKeyMJZFRDBIURJNEF-UHFFFAOYSA-N
XLogP0.42
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride (CID 121452432) is [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride is CN(C)C(=O)COC(=O)Cn1ccnc1CCC(=O)N1CCC(N(C)C)CC1.Cl.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
The InChIKey is MJZFRDBIURJNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4.ClH/c1-21(2)15-7-10-23(11-8-15)17(25)6-5-16-20-9-12-24(16)13-19(27)28-14-18(26)22(3)4;/h9,12,15H,5-8,10-11,13-14H2,1-4H3;1H.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride has a molecular weight of 429.95 g/mol, XLogP of 0.42, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 121452432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).