N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide

C18H33N5O — CID 56778639

IUPACN-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
SMILESCCn1ccnc1CN1CCN(CCC(=O)NC(C)(C)C)CC1C
InChIInChI=1S/C18H33N5O/c1-6-22-10-8-19-16(22)14-23-12-11-21(13-15(23)2)9-7-17(24)20-18(3,4)5/h8,10,15H,6-7,9,11-14H2,1-5H3,(H,20,24)
InChIKeyMMMJVZIXAVLEIM-UHFFFAOYSA-N
MW335.50 g/mol
LogP1.71
Rot. Bonds6

About N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide

N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide (PubChem CID 56778639) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
PubChem CID56778639
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide
SMILESCCn1ccnc1CN1CCN(CCC(=O)NC(C)(C)C)CC1C
InChIInChI=1S/C18H33N5O/c1-6-22-10-8-19-16(22)14-23-12-11-21(13-15(23)2)9-7-17(24)20-18(3,4)5/h8,10,15H,6-7,9,11-14H2,1-5H3,(H,20,24)
InChIKeyMMMJVZIXAVLEIM-UHFFFAOYSA-N
XLogP1.71
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide (CID 56778639) is N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide is CCn1ccnc1CN1CCN(CCC(=O)NC(C)(C)C)CC1C.
What is the InChIKey of N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide?
The InChIKey is MMMJVZIXAVLEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-6-22-10-8-19-16(22)14-23-12-11-21(13-15(23)2)9-7-17(24)20-18(3,4)5/h8,10,15H,6-7,9,11-14H2,1-5H3,(H,20,24).
What are the key properties of N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide?
N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide has a molecular weight of 335.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 56778639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).